 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer00_STD_LCPBE_augccpVDZ.in
 Output=31_naproxen_conformer00_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/31_naproxen/Gau-43030.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/31_naproxen/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     43031.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 7-Oct-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=64GB
 %chk=31_naproxen_conformer00_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Oct  7 14:53:27 2021, MaxMem=  8589934592 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "31_naproxen_conformer00_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 3.352380000000      0.081536000000     -0.094047000000
  C                                                 2.853162000000     -1.229651000000      0.086888000000
  C                                                 2.486454000000      1.151296000000     -0.114829000000
  C                                                 1.100546000000      0.960772000000      0.042252000000
  C                                                 0.590185000000     -0.359596000000      0.227036000000
  C                                                 1.505764000000     -1.433604000000      0.242412000000
  C                                                 0.178320000000      2.035716000000      0.022349000000
  C                                                -1.162617000000      1.813105000000      0.178068000000
  C                                                -1.675581000000      0.507253000000      0.370446000000
  C                                                -0.800954000000     -0.550815000000      0.386518000000
  C                                                -3.175000000000      0.316508000000      0.539158000000
  O                                                 4.675062000000      0.363691000000     -0.254438000000
  C                                                 5.607556000000     -0.703149000000     -0.244694000000
  H                                                 3.524663000000     -2.074808000000      0.103947000000
  H                                                 2.886450000000      2.147038000000     -0.255665000000
  H                                                 1.129072000000     -2.439742000000      0.380890000000
  H                                                 0.550726000000      3.042648000000     -0.120102000000
  H                                                -1.852677000000      2.647425000000      0.153954000000
  H                                                -1.168601000000     -1.561255000000      0.512106000000
  H                                                -3.627638000000      1.305010000000      0.609167000000
  C                                                -3.546747000000     -0.494005000000      1.785225000000
  C                                                -3.751553000000     -0.273210000000     -0.735630000000
  H                                                 6.583819000000     -0.246740000000     -0.388953000000
  H                                                 5.417122000000     -1.410440000000     -1.057092000000
  H                                                 5.597238000000     -1.237035000000      0.709988000000
  H                                                -3.163624000000      0.008881000000      2.673322000000
  H                                                -3.125429000000     -1.496647000000      1.749497000000
  H                                                -4.629967000000     -0.586055000000      1.879701000000
  O                                                -4.295658000000      0.357517000000     -1.603525000000
  O                                                -3.574263000000     -1.613892000000     -0.819614000000
  H                                                -3.933780000000     -1.889738000000     -1.677049000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          16          12           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           1           1           1           1
 AtZEff=   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12           1           1           1           1           1           1          16          16
 AtmWgt=  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146
 NucSpn=           0           0           1           1           1           1           1           1           0           0
 AtZEff=   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Oct  7 14:53:27 2021, MaxMem=  8589934592 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.414626   0.000000
     3  C    1.376461   2.417452   0.000000
     4  C    2.421237   2.805639   1.407734   0.000000
     5  C    2.815566   2.428518   2.448572   1.427580   0.000000
     6  C    2.412228   1.371592   2.787666   2.436658   1.411387
     7  C    3.729212   4.221560   2.475581   1.416475   2.439067
     8  C    4.843302   5.039163   3.720148   2.422153   2.792014
     9  C    5.067285   4.858678   4.239436   2.832008   2.430162
    10  C    4.228592   3.728694   3.735717   2.453389   1.413247
    11  C    6.562229   6.239703   5.759916   4.352274   3.838119
    12  O    1.361919   2.444292   2.330197   3.636165   4.176264
    13  C    2.392539   2.823798   3.632783   4.812911   5.051195
    14  H    2.172257   1.079581   3.396099   3.885215   3.401215
    15  H    2.123561   3.394183   1.082282   2.164586   3.433518
    16  H    3.394924   2.126792   3.870888   3.417453   2.154316
    17  H    4.076534   4.857633   2.706341   2.159368   3.420135
    18  H    5.808434   6.097634   4.597685   3.402764   3.874931
    19  H    4.848242   4.057752   4.594606   3.424969   2.149088
    20  H    7.121239   6.978399   6.158727   4.774476   4.550491
    21  C    7.173623   6.662159   6.535804   5.172201   4.422694
    22  C    7.141662   6.724104   6.428635   5.066624   4.448019
    23  H    3.261431   3.887202   4.337977   5.631190   6.026261
    24  H    2.723345   2.813408   4.004893   5.046190   5.104173
    25  H    2.724792   2.813941   4.007671   5.049403   5.106243
    26  H    7.079683   6.665232   6.403302   5.100174   4.495684
    27  H    6.917465   6.211208   6.479239   5.178075   4.173315
    28  H    8.249801   7.721762   7.592100   6.213507   5.480198
    29  O    7.800460   7.515466   6.988801   5.673757   5.266561
    30  O    7.167936   6.502398   6.698901   5.406066   4.473406
    31  H    7.712324   7.043420   7.273776   6.035382   5.141316
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.721118   0.000000
     8  C    4.203037   1.368180   0.000000
     9  C    3.728844   2.427822   1.416118   0.000000
    10  C    2.474072   2.789577   2.400494   1.372858   0.000000
    11  C    5.006047   3.803620   2.533747   1.520889   2.532122
    12  O    3.677170   4.805514   6.030453   6.382927   5.588729
    13  C    4.194703   6.086813   7.235019   7.408614   6.441322
    14  H    2.122797   5.301045   6.090317   5.812108   4.594928
    15  H    3.869803   2.724638   4.085900   4.888050   4.613866
    16  H    1.083230   4.589358   4.835254   4.068288   2.700570
    17  H    4.591334   1.083001   2.129842   3.409591   3.872555
    18  H    5.285996   2.125196   1.082984   2.158372   3.374751
    19  H    2.690959   3.871984   3.390859   2.134437   1.082555
    20  H    5.829780   3.919643   2.553495   2.122247   3.388776
    21  C    5.365723   4.835633   3.686433   2.550565   3.082043
    22  C    5.471971   4.620560   3.448209   2.478343   3.168961
    23  H    5.252991   6.812429   8.035655   8.328438   7.431601
    24  H    4.121646   6.362879   7.430332   7.484774   6.441074
    25  H    4.122793   6.367764   7.435182   7.486770   6.443011
    26  H    5.458321   4.722744   3.672267   2.786734   3.335407
    27  H    4.870650   5.135697   4.156498   2.831864   2.855783
    28  H    6.406735   5.782998   4.546871   3.493075   4.110009
    29  O    6.346030   5.047405   3.886998   3.283868   4.122899
    30  O    5.192983   5.301926   4.307634   3.085529   3.205640
    31  H    5.786279   5.933507   4.983157   3.877791   3.983167
                   11         12         13         14         15
    11  C    0.000000
    12  O    7.890215   0.000000
    13  C    8.876227   1.416964   0.000000
    14  H    7.126941   2.719951   2.518222   0.000000
    15  H    6.381517   2.525759   3.940572   4.284929   0.000000
    16  H    5.113414   4.564748   4.843958   2.439002   4.952992
    17  H    4.663421   4.919858   6.294287   5.923078   2.505215
    18  H    2.707415   6.927741   8.187817   7.156659   4.783043
    19  H    2.748156   6.200113   6.872074   4.738888   5.548364
    20  H    1.089458   8.400400   9.489499   7.926779   6.624975
    21  C    1.532257   8.514341   9.378997   7.438446   7.247507
    22  C    1.518310   8.464339   9.381833   7.542809   7.081741
    23  H    9.819022   2.008500   1.087294   3.597668   4.406640
    24  H    8.908138   2.083854   1.093854   2.317498   4.438720
    25  H    8.910378   2.083951   1.093873   2.316186   4.442162
    26  H    2.156251   8.375122   9.271214   7.461677   7.053657
    27  H    2.180575   8.265850   8.992856   6.875015   7.310253
    28  H    2.174535   9.593755  10.456273   8.477481   8.278050
    29  O    2.418398   9.071598  10.052118   8.365948   7.523416
    30  O    2.394184   8.501860   9.244771   7.173574   7.496896
    31  H    3.217894   9.011877   9.720943   7.670370   8.051797
                   16         17         18         19         20
    16  H    0.000000
    17  H    5.535529   0.000000
    18  H    5.900983   2.451052   0.000000
    19  H    2.463383   4.954967   4.278927   0.000000
    20  H    6.058182   4.583661   2.271516   3.777798   0.000000
    21  C    5.255600   5.738246   3.924220   2.900937   2.150840
    22  C    5.455362   5.466571   3.595441   3.144447   2.077164
    23  H    5.929265   6.876814   8.935626   7.914536  10.376802
    24  H    4.638386   6.662564   8.413256   6.771770   9.589461
    25  H    4.638892   6.668734   8.420180   6.776493   9.569247
    26  H    5.447774   5.550077   3.876559   3.334111   2.481128
    27  H    4.567635   6.133084   4.619414   2.316136   3.066243
    28  H    6.232906   6.633723   4.598580   3.847387   2.488985
    29  O    6.417964   5.735670   3.781609   4.235099   2.497999
    30  O    4.923880   6.260049   4.697927   2.750174   3.250270
    31  H    5.492730   6.845678   5.316899   3.542106   3.940421
                   21         22         23         24         25
    21  C    0.000000
    22  C    2.538780   0.000000
    23  H   10.364196  10.341218   0.000000
    24  H    9.448257   9.244524   1.778142   0.000000
    25  H    9.236920   9.508873   1.778116   1.784680   0.000000
    26  H    1.090135   3.470762  10.220348   9.463597   9.064198
    27  H    1.088153   2.839839  10.020216   8.992194   8.788225
    28  H    1.091222   2.776588  11.446000  10.499922  10.314443
    29  O    3.573455   1.202958  10.963728   9.887485  10.284179
    30  O    2.835505   1.354959  10.258714   8.996821   9.305812
    31  H    3.753026   1.879532  10.722804   9.383680   9.847044
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.766784   0.000000
    28  H    1.770295   1.763453   0.000000
    29  O    4.437845   4.006260   3.624218   0.000000
    30  O    3.873321   2.610657   3.075266   2.240844   0.000000
    31  H    4.808703   3.542481   3.851589   2.277392   0.969814
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 0.00D+00
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        3.352380    0.081536   -0.094047
      2          6           0        2.853162   -1.229651    0.086888
      3          6           0        2.486454    1.151296   -0.114829
      4          6           0        1.100546    0.960772    0.042252
      5          6           0        0.590185   -0.359596    0.227036
      6          6           0        1.505764   -1.433604    0.242412
      7          6           0        0.178320    2.035716    0.022349
      8          6           0       -1.162617    1.813105    0.178068
      9          6           0       -1.675581    0.507253    0.370446
     10          6           0       -0.800954   -0.550815    0.386518
     11          6           0       -3.175000    0.316508    0.539158
     12          8           0        4.675062    0.363691   -0.254438
     13          6           0        5.607556   -0.703149   -0.244694
     14          1           0        3.524663   -2.074808    0.103947
     15          1           0        2.886450    2.147038   -0.255665
     16          1           0        1.129072   -2.439742    0.380890
     17          1           0        0.550726    3.042648   -0.120102
     18          1           0       -1.852677    2.647425    0.153954
     19          1           0       -1.168601   -1.561255    0.512106
     20          1           0       -3.627638    1.305010    0.609167
     21          6           0       -3.546747   -0.494005    1.785225
     22          6           0       -3.751553   -0.273210   -0.735630
     23          1           0        6.583819   -0.246740   -0.388953
     24          1           0        5.417122   -1.410440   -1.057092
     25          1           0        5.597238   -1.237035    0.709988
     26          1           0       -3.163624    0.008881    2.673322
     27          1           0       -3.125429   -1.496647    1.749497
     28          1           0       -4.629967   -0.586055    1.879701
     29          8           0       -4.295658    0.357517   -1.603525
     30          8           0       -3.574263   -1.613892   -0.819614
     31          1           0       -3.933780   -1.889738   -1.677049
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2770957           0.2099576           0.1981845
 Leave Link  202 at Thu Oct  7 14:53:28 2021, MaxMem=  8589934592 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     23     24     25
 Centers:      26     27     28     31
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     13     21     22
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      12     29     30
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  51 primitive shells out of 588 were deleted.
 There are   551 symmetry adapted cartesian basis functions of A   symmetry.
 There are   517 symmetry adapted basis functions of A   symmetry.
   517 basis functions,   967 primitive gaussians,   551 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1132.7082601997 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Oct  7 14:53:30 2021, MaxMem=  8589934592 cpu:              13.9 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   517 RedAO= T EigKep=  1.11D-06  NBF=   517
 NBsUse=   514 1.00D-06 EigRej=  8.80D-07 NBFU=   514
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   551   551   551   551   551 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Oct  7 14:53:32 2021, MaxMem=  8589934592 cpu:              12.6 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Oct  7 14:53:33 2021, MaxMem=  8589934592 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer00_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Oct  7 14:53:34 2021, MaxMem=  8589934592 cpu:               8.8 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  8589934592 LenX=  8589317803 LenY=  8589013651
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -765.490535744348    
 DIIS: error= 2.37D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -765.490535744348     IErMin= 1 ErrMin= 2.37D-03
 ErrMax= 2.37D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-02 BMatP= 1.47D-02
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.37D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.282 Goal=   None    Shift=    0.000
 GapD=    0.282 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.11D-02 MaxDP=2.45D+00              OVMax= 1.44D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.45D-02    CP:  9.02D-01
 E= -765.501741139571     Delta-E=       -0.011205395223 Rises=F Damp=F
 DIIS: error= 1.68D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -765.501741139571     IErMin= 2 ErrMin= 1.68D-03
 ErrMax= 1.68D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.51D-03 BMatP= 1.47D-02
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.68D-02
 Coeff-Com:  0.197D+00 0.803D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.194D+00 0.806D+00
 Gap=     0.285 Goal=   None    Shift=    0.000
 RMSDP=2.30D-03 MaxDP=1.31D-01 DE=-1.12D-02 OVMax= 1.08D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.26D-03    CP:  9.13D-01  1.07D+00
 E= -765.502051561507     Delta-E=       -0.000310421937 Rises=F Damp=F
 DIIS: error= 1.58D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -765.502051561507     IErMin= 3 ErrMin= 1.58D-03
 ErrMax= 1.58D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.14D-03 BMatP= 2.51D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.58D-02
 Coeff-Com: -0.255D-02 0.480D+00 0.523D+00
 Coeff-En:   0.000D+00 0.456D+00 0.544D+00
 Coeff:     -0.251D-02 0.479D+00 0.523D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=7.39D-04 MaxDP=3.77D-02 DE=-3.10D-04 OVMax= 6.37D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.82D-04    CP:  9.17D-01  1.09D+00  1.08D+00
 E= -765.503525952595     Delta-E=       -0.001474391087 Rises=F Damp=F
 DIIS: error= 1.33D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -765.503525952595     IErMin= 4 ErrMin= 1.33D-04
 ErrMax= 1.33D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.43D-05 BMatP= 2.14D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.33D-03
 Coeff-Com: -0.681D-02 0.154D+00 0.206D+00 0.647D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.680D-02 0.154D+00 0.206D+00 0.647D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=1.40D-04 MaxDP=1.04D-02 DE=-1.47D-03 OVMax= 2.19D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.04D-04    CP:  9.17D-01  1.09D+00  1.12D+00  9.40D-01
 E= -765.503547045774     Delta-E=       -0.000021093179 Rises=F Damp=F
 DIIS: error= 8.20D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -765.503547045774     IErMin= 5 ErrMin= 8.20D-05
 ErrMax= 8.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-05 BMatP= 3.43D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.328D-02-0.205D-01 0.409D-02 0.398D+00 0.622D+00
 Coeff:     -0.328D-02-0.205D-01 0.409D-02 0.398D+00 0.622D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=7.72D-05 MaxDP=5.67D-03 DE=-2.11D-05 OVMax= 7.25D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.65D-05    CP:  9.17D-01  1.09D+00  1.15D+00  9.34D-01  1.35D+00
 E= -765.503556934287     Delta-E=       -0.000009888513 Rises=F Damp=F
 DIIS: error= 1.40D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -765.503556934287     IErMin= 6 ErrMin= 1.40D-05
 ErrMax= 1.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.53D-07 BMatP= 1.26D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.608D-03-0.201D-01-0.158D-01 0.975D-01 0.228D+00 0.711D+00
 Coeff:     -0.608D-03-0.201D-01-0.158D-01 0.975D-01 0.228D+00 0.711D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=1.90D-05 MaxDP=1.28D-03 DE=-9.89D-06 OVMax= 2.62D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  9.17D-01  1.09D+00  1.15D+00  9.42D-01  1.35D+00
                    CP:  1.17D+00
 E= -765.503557484927     Delta-E=       -0.000000550640 Rises=F Damp=F
 DIIS: error= 7.08D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -765.503557484927     IErMin= 7 ErrMin= 7.08D-06
 ErrMax= 7.08D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.57D-08 BMatP= 4.53D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.221D-03-0.647D-02-0.809D-02-0.107D-01 0.143D-01 0.326D+00
 Coeff-Com:  0.685D+00
 Coeff:      0.221D-03-0.647D-02-0.809D-02-0.107D-01 0.143D-01 0.326D+00
 Coeff:      0.685D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=7.42D-06 MaxDP=5.77D-04 DE=-5.51D-07 OVMax= 1.31D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.31D-06    CP:  9.17D-01  1.08D+00  1.15D+00  9.39D-01  1.37D+00
                    CP:  1.19D+00  1.05D+00
 E= -765.503557614930     Delta-E=       -0.000000130003 Rises=F Damp=F
 DIIS: error= 2.83D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -765.503557614930     IErMin= 8 ErrMin= 2.83D-06
 ErrMax= 2.83D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.02D-08 BMatP= 9.57D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.146D-03 0.759D-03-0.425D-03-0.170D-01-0.287D-01 0.937D-02
 Coeff-Com:  0.234D+00 0.802D+00
 Coeff:      0.146D-03 0.759D-03-0.425D-03-0.170D-01-0.287D-01 0.937D-02
 Coeff:      0.234D+00 0.802D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=2.84D-06 MaxDP=1.44D-04 DE=-1.30D-07 OVMax= 7.98D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.08D-06    CP:  9.17D-01  1.08D+00  1.15D+00  9.39D-01  1.37D+00
                    CP:  1.20D+00  1.10D+00  1.12D+00
 E= -765.503557636515     Delta-E=       -0.000000021585 Rises=F Damp=F
 DIIS: error= 1.25D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -765.503557636515     IErMin= 9 ErrMin= 1.25D-06
 ErrMax= 1.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-09 BMatP= 1.02D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-04 0.149D-02 0.130D-02-0.502D-02-0.150D-01-0.596D-01
 Coeff-Com: -0.315D-01 0.357D+00 0.751D+00
 Coeff:      0.173D-04 0.149D-02 0.130D-02-0.502D-02-0.150D-01-0.596D-01
 Coeff:     -0.315D-01 0.357D+00 0.751D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=1.55D-06 MaxDP=7.28D-05 DE=-2.16D-08 OVMax= 3.30D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.10D-07    CP:  9.17D-01  1.08D+00  1.15D+00  9.38D-01  1.37D+00
                    CP:  1.21D+00  1.14D+00  1.17D+00  1.18D+00
 E= -765.503557641023     Delta-E=       -0.000000004508 Rises=F Damp=F
 DIIS: error= 3.67D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -765.503557641023     IErMin=10 ErrMin= 3.67D-07
 ErrMax= 3.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-10 BMatP= 2.40D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.153D-04 0.336D-03 0.444D-03 0.749D-03-0.575D-03-0.187D-01
 Coeff-Com: -0.371D-01-0.237D-02 0.190D+00 0.867D+00
 Coeff:     -0.153D-04 0.336D-03 0.444D-03 0.749D-03-0.575D-03-0.187D-01
 Coeff:     -0.371D-01-0.237D-02 0.190D+00 0.867D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=4.93D-07 MaxDP=3.55D-05 DE=-4.51D-09 OVMax= 1.39D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.25D-07    CP:  9.17D-01  1.08D+00  1.15D+00  9.38D-01  1.38D+00
                    CP:  1.21D+00  1.14D+00  1.20D+00  1.20D+00  1.10D+00
 E= -765.503557641539     Delta-E=       -0.000000000516 Rises=F Damp=F
 DIIS: error= 2.24D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -765.503557641539     IErMin=11 ErrMin= 2.24D-07
 ErrMax= 2.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.86D-11 BMatP= 1.70D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.964D-05-0.555D-04 0.242D-04 0.113D-02 0.197D-02-0.448D-03
 Coeff-Com: -0.126D-01-0.537D-01-0.234D-01 0.398D+00 0.689D+00
 Coeff:     -0.964D-05-0.555D-04 0.242D-04 0.113D-02 0.197D-02-0.448D-03
 Coeff:     -0.126D-01-0.537D-01-0.234D-01 0.398D+00 0.689D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=2.18D-07 MaxDP=1.77D-05 DE=-5.16D-10 OVMax= 3.97D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.65D-07    CP:  9.17D-01  1.08D+00  1.15D+00  9.38D-01  1.38D+00
                    CP:  1.21D+00  1.15D+00  1.20D+00  1.21D+00  1.16D+00
                    CP:  9.93D-01
 E= -765.503557641555     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 4.45D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -765.503557641555     IErMin=12 ErrMin= 4.45D-08
 ErrMax= 4.45D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.18D-12 BMatP= 4.86D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-05-0.645D-04-0.539D-04 0.283D-03 0.752D-03 0.218D-02
 Coeff-Com:  0.129D-02-0.164D-01-0.314D-01 0.156D-01 0.234D+00 0.793D+00
 Coeff:     -0.113D-05-0.645D-04-0.539D-04 0.283D-03 0.752D-03 0.218D-02
 Coeff:      0.129D-02-0.164D-01-0.314D-01 0.156D-01 0.234D+00 0.793D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=7.13D-08 MaxDP=3.30D-06 DE=-1.61D-11 OVMax= 1.32D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  4.88D-08    CP:  9.17D-01  1.08D+00  1.15D+00  9.38D-01  1.38D+00
                    CP:  1.21D+00  1.15D+00  1.19D+00  1.21D+00  1.18D+00
                    CP:  1.09D+00  9.79D-01
 E= -765.503557641754     Delta-E=       -0.000000000199 Rises=F Damp=F
 DIIS: error= 2.14D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -765.503557641754     IErMin=13 ErrMin= 2.14D-08
 ErrMax= 2.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.90D-13 BMatP= 4.18D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.684D-06-0.187D-04-0.247D-04-0.252D-04 0.715D-04 0.829D-03
 Coeff-Com:  0.200D-02-0.191D-04-0.971D-02-0.409D-01 0.546D-02 0.319D+00
 Coeff-Com:  0.724D+00
 Coeff:      0.684D-06-0.187D-04-0.247D-04-0.252D-04 0.715D-04 0.829D-03
 Coeff:      0.200D-02-0.191D-04-0.971D-02-0.409D-01 0.546D-02 0.319D+00
 Coeff:      0.724D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=3.29D-08 MaxDP=1.60D-06 DE=-1.99D-10 OVMax= 5.15D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  2.11D-08    CP:  9.17D-01  1.08D+00  1.15D+00  9.38D-01  1.38D+00
                    CP:  1.21D+00  1.15D+00  1.19D+00  1.21D+00  1.17D+00
                    CP:  1.10D+00  1.06D+00  9.52D-01
 E= -765.503557641740     Delta-E=        0.000000000014 Rises=F Damp=F
 DIIS: error= 5.64D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -765.503557641754     IErMin=14 ErrMin= 5.64D-09
 ErrMax= 5.64D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.78D-14 BMatP= 6.90D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.442D-06 0.402D-05-0.128D-06-0.552D-04-0.901D-04-0.746D-04
 Coeff-Com:  0.532D-03 0.258D-02 0.147D-02-0.170D-01-0.374D-01-0.152D-01
 Coeff-Com:  0.245D+00 0.820D+00
 Coeff:      0.442D-06 0.402D-05-0.128D-06-0.552D-04-0.901D-04-0.746D-04
 Coeff:      0.532D-03 0.258D-02 0.147D-02-0.170D-01-0.374D-01-0.152D-01
 Coeff:      0.245D+00 0.820D+00
 Gap=     0.284 Goal=   None    Shift=    0.000
 RMSDP=9.70D-09 MaxDP=6.47D-07 DE= 1.39D-11 OVMax= 2.46D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -765.503557642     A.U. after   14 cycles
            NFock= 14  Conv=0.97D-08     -V/T= 2.0045
 KE= 7.621047532687D+02 PE=-4.052360590399D+03 EE= 1.392044019289D+03
 Leave Link  502 at Thu Oct  7 15:11:54 2021, MaxMem=  8589934592 cpu:            8789.1 elap:            1099.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   514
 NBasis=   517 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    514 NOA=    61 NOB=    61 NVA=   453 NVB=   453

 **** Warning!!: The largest alpha MO coefficient is  0.10289146D+03

 Leave Link  801 at Thu Oct  7 15:11:54 2021, MaxMem=  8589934592 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9624 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    8589934592 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.61D-13 8.33D-09 XBig12= 1.00D+00 4.83D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.61D-13 8.33D-09 XBig12= 2.71D-01 1.04D-01.
     11 vectors produced by pass  2 Test12= 4.61D-13 8.33D-09 XBig12= 7.90D-02 1.36D-01.
     11 vectors produced by pass  3 Test12= 4.61D-13 8.33D-09 XBig12= 1.09D-02 4.33D-02.
     11 vectors produced by pass  4 Test12= 4.61D-13 8.33D-09 XBig12= 2.87D-03 1.49D-02.
     11 vectors produced by pass  5 Test12= 4.61D-13 8.33D-09 XBig12= 4.70D-04 4.56D-03.
     11 vectors produced by pass  6 Test12= 4.61D-13 8.33D-09 XBig12= 3.62D-05 9.23D-04.
     11 vectors produced by pass  7 Test12= 4.61D-13 8.33D-09 XBig12= 2.37D-06 2.62D-04.
     11 vectors produced by pass  8 Test12= 4.61D-13 8.33D-09 XBig12= 1.59D-07 6.75D-05.
     11 vectors produced by pass  9 Test12= 4.61D-13 8.33D-09 XBig12= 5.77D-09 8.76D-06.
     11 vectors produced by pass 10 Test12= 4.61D-13 8.33D-09 XBig12= 1.96D-10 1.95D-06.
     10 vectors produced by pass 11 Test12= 4.61D-13 8.33D-09 XBig12= 9.33D-12 4.50D-07.
      8 vectors produced by pass 12 Test12= 4.61D-13 8.33D-09 XBig12= 6.15D-13 9.43D-08.
      4 vectors produced by pass 13 Test12= 4.61D-13 8.33D-09 XBig12= 2.33D-13 2.88D-08.
      2 vectors produced by pass 14 Test12= 4.61D-13 8.33D-09 XBig12= 5.63D-14 1.50D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   145 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.306513D+03
      2 -0.200905D+02  0.187212D+03
      3 -0.821837D+01 -0.486515D+01  0.125874D+03
 Isotropic polarizability for W=    0.088559      206.53 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.457540D+03 -0.117428D+03 -0.941652D+02
      2  -0.197697D+03  0.965617D+02  0.982011D+01
      3  -0.259843D+03  0.208664D+02  0.843451D+02
      4  -0.727032D+02  0.874649D+02 -0.717818D+01
      5  -0.134295D+02 -0.751152D+00 -0.898278D+02
      6  -0.474058D+01  0.190457D+02 -0.247446D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.120986D+02  0.199122D+02  0.356692D+01
      2  -0.853321D+02 -0.311613D+01 -0.274291D+02
      3   0.110547D+03 -0.405254D+02 -0.414620D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.642703D+01  0.922559D+01  0.456110D+02
      2  -0.807357D+02 -0.243760D+01  0.170015D+03
      3   0.447249D+02 -0.285162D+03 -0.398943D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.202441D+01  0.741621D+01 -0.172364D+02
      2   0.741621D+01  0.336679D+01  0.259523D+01
      3  -0.172364D+02  0.259523D+01  0.349387D+01
 OR G Eigenvalues:   -19.1306     5.1968    18.7700  Iso=    -1.6121
 Eigenvectors:
   (1)   0.738060  -0.312296   0.598113
   (2)   0.104686   0.928707   0.355731
   (3)  -0.666565  -0.199937   0.718134
 w=    0.088559 a.u., Optical Rotation Beta=     -1.6121 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =     -355.01 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  133903 ScalPx= 4.44D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.03D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.68D-14 2.78D-09 XBig12= 1.00D+00 2.87D-01.
     30 vectors produced by pass  1 Test12= 7.68D-14 2.78D-09 XBig12= 5.47D-02 4.83D-02.
     30 vectors produced by pass  2 Test12= 7.68D-14 2.78D-09 XBig12= 6.74D-03 1.84D-02.
     30 vectors produced by pass  3 Test12= 7.68D-14 2.78D-09 XBig12= 3.18D-04 2.82D-03.
     30 vectors produced by pass  4 Test12= 7.68D-14 2.78D-09 XBig12= 1.75D-05 6.59D-04.
     30 vectors produced by pass  5 Test12= 7.68D-14 2.78D-09 XBig12= 4.58D-07 9.21D-05.
     30 vectors produced by pass  6 Test12= 7.68D-14 2.78D-09 XBig12= 8.22D-09 7.67D-06.
     30 vectors produced by pass  7 Test12= 7.68D-14 2.78D-09 XBig12= 1.27D-10 1.12D-06.
     30 vectors produced by pass  8 Test12= 7.68D-14 2.78D-09 XBig12= 1.49D-12 1.16D-07.
     14 vectors produced by pass  9 Test12= 7.68D-14 2.78D-09 XBig12= 5.45D-14 1.82D-08.
      8 vectors produced by pass 10 Test12= 7.68D-14 2.78D-09 XBig12= 5.66D-14 1.35D-08.
      4 vectors produced by pass 11 Test12= 7.68D-14 2.78D-09 XBig12= 2.28D-14 7.52D-09.
      3 vectors produced by pass 12 Test12= 7.68D-14 2.78D-09 XBig12= 1.99D-14 7.08D-09.
      2 vectors produced by pass 13 Test12= 7.68D-14 2.78D-09 XBig12= 2.32D-14 7.88D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   301 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.59D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  133903 ScalPx= 1.59D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  133903 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.29D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.306513D+03 -0.200905D+02 -0.821837D+01
      2  -0.200905D+02  0.187212D+03 -0.486515D+01
      3  -0.821837D+01 -0.486515D+01  0.125874D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.120986D+02  0.199122D+02  0.356692D+01
      2  -0.853321D+02 -0.311613D+01 -0.274291D+02
      3   0.110547D+03 -0.405254D+02 -0.414620D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.457540D+03 -0.117428D+03 -0.941652D+02
      2  -0.197697D+03  0.965617D+02  0.982011D+01
      3  -0.259843D+03  0.208664D+02  0.843451D+02
      4  -0.727032D+02  0.874649D+02 -0.717818D+01
      5  -0.134295D+02 -0.751152D+00 -0.898278D+02
      6  -0.474058D+01  0.190457D+02 -0.247446D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.374205D+02 -0.734563D+01 -0.116880D+01 -0.444177D+01  0.337635D+01
      2  -0.734563D+01  0.968908D+01 -0.757161D-01  0.337635D+01 -0.129317D+02
      3  -0.116880D+01 -0.757161D-01  0.375124D+01  0.546459D+00  0.134557D+01
                 6             7             8             9            10 
      1   0.546459D+00 -0.182789D+01  0.100271D+01  0.714853D+01  0.435454D+01
      2   0.134557D+01  0.100271D+01  0.132916D+00 -0.121929D+01  0.144050D+01
      3  -0.647493D-01  0.714853D+01 -0.121929D+01 -0.135498D+01 -0.872253D-01
                11            12            13            14            15 
      1   0.144050D+01 -0.872253D-01 -0.148741D+02  0.337030D+01  0.112564D+01
      2   0.101878D+02 -0.152612D+01  0.337030D+01  0.327987D+01 -0.132599D+01
      3  -0.152612D+01  0.251829D+01  0.112564D+01 -0.132599D+01 -0.161021D+01
                16            17            18            19            20 
      1   0.176612D+01 -0.429301D+00  0.384433D+01 -0.382681D+02  0.122950D+02
      2  -0.429301D+00 -0.201456D+01 -0.294562D+01  0.122950D+02 -0.887385D+01
      3   0.384433D+01 -0.294562D+01 -0.166647D+00  0.148686D+01  0.584407D+00
                21            22            23            24            25 
      1   0.148686D+01  0.202702D+02 -0.599368D+01 -0.720560D+00  0.184944D+01
      2   0.584407D+00 -0.599368D+01  0.705747D+01  0.429168D+00 -0.124833D+00
      3  -0.453844D+00 -0.720560D+00  0.429168D+00  0.232148D+01  0.416546D+00
                26            27            28            29            30 
      1  -0.124833D+00  0.416546D+00  0.397571D+02 -0.112763D+02 -0.136489D+01
      2   0.111447D+01  0.451793D+01 -0.112763D+02  0.333308D+01  0.405517D+00
      3   0.451793D+01 -0.121583D+01 -0.136489D+01  0.405517D+00  0.128214D-01
                31            32            33            34            35 
      1   0.453195D+02 -0.842910D+01 -0.308711D+01 -0.852548D+01  0.222830D+01
      2  -0.842910D+01  0.879838D+01  0.234108D+00  0.222830D+01 -0.103646D+01
      3  -0.308711D+01  0.234108D+00 -0.143086D+00  0.129215D+01  0.978020D+00
                36            37            38            39            40 
      1   0.129215D+01 -0.428182D+02  0.120264D+02  0.139708D+01 -0.414943D+02
      2   0.978020D+00  0.120264D+02 -0.765237D+01 -0.598877D+00  0.713520D+01
      3  -0.290965D+00  0.139708D+01 -0.598877D+00  0.157919D+00  0.282482D+01
                41            42            43            44            45 
      1   0.713520D+01  0.282482D+01  0.865773D+01 -0.201202D+01 -0.138806D+01
      2  -0.633257D+01 -0.533270D-01 -0.201202D+01  0.127193D+01 -0.898108D+00
      3  -0.533270D-01 -0.294439D-01 -0.138806D+01 -0.898108D+00  0.408121D+00
                46            47            48            49            50 
      1  -0.334738D+01 -0.309778D+01  0.779659D+00 -0.262916D+01  0.460997D+01
      2  -0.309778D+01 -0.514631D+01  0.330912D+00  0.460997D+01 -0.269673D+01
      3   0.779659D+00  0.330912D+00 -0.230388D+01 -0.742198D+00 -0.787553D+00
                51            52            53            54            55 
      1  -0.742198D+00  0.712228D+00 -0.564985D+00 -0.457018D+00  0.842719D+01
      2  -0.787553D+00 -0.564985D+00 -0.515601D-01 -0.412951D+01  0.129574D+01
      3  -0.118374D+01 -0.457018D+00 -0.412951D+01  0.138313D+01 -0.151688D+01
                56            57            58            59            60 
      1   0.129574D+01 -0.151688D+01  0.845125D+00 -0.376621D+01  0.718081D+00
      2   0.990256D+01  0.105634D+00 -0.376621D+01  0.298225D+00  0.844876D+00
      3   0.105634D+00  0.183677D+01  0.718081D+00  0.844876D+00  0.132348D+01
                61            62            63            64            65 
      1  -0.717970D+00  0.830931D+00  0.103107D+01 -0.397971D+01 -0.162146D+01
      2   0.830931D+00  0.515516D-01  0.457193D+01 -0.162146D+01 -0.139807D+02
      3   0.103107D+01  0.457193D+01 -0.136991D+01  0.187101D+00  0.118242D+01
                66            67            68            69            70 
      1   0.187101D+00  0.114812D+02 -0.743183D+00 -0.574553D+00 -0.398567D+01
      2   0.118242D+01 -0.743183D+00 -0.687188D+01  0.116840D+01 -0.215735D-01
      3  -0.255474D+01 -0.574553D+00  0.116840D+01  0.132036D+01 -0.553923D+01
                71            72            73            74            75 
      1  -0.215735D-01 -0.553923D+01 -0.525663D+02  0.558177D+01  0.201523D+01
      2   0.294587D+01  0.276240D+01  0.558177D+01 -0.482140D+01  0.263899D+00
      3   0.276240D+01  0.704967D+00  0.201523D+01  0.263899D+00 -0.139349D+01
                76            77            78            79            80 
      1   0.840256D+01 -0.353752D+01 -0.113405D+01  0.110098D+01 -0.100429D+01
      2  -0.353752D+01  0.166715D+02 -0.123922D+01 -0.100429D+01 -0.891477D+00
      3  -0.113405D+01 -0.123922D+01 -0.553604D+00 -0.631139D+01  0.655633D+00
                81            82            83            84            85 
      1  -0.631139D+01  0.448404D+02 -0.119702D+02 -0.153320D+01 -0.231073D+02
      2   0.655633D+00 -0.119702D+02  0.111737D+02 -0.448813D+00  0.308748D+01
      3   0.114330D+01 -0.153320D+01 -0.448813D+00  0.179450D+00  0.522098D+00
                86            87            88            89            90 
      1   0.308748D+01  0.522098D+00 -0.376782D+01  0.235327D+00 -0.482637D+00
      2  -0.678099D+01  0.601836D-01  0.235327D+00 -0.921503D+00 -0.321435D+01
      3   0.601836D-01 -0.164158D+01 -0.482637D+00 -0.321435D+01  0.128604D+01
                91            92            93            94            95 
      1   0.107939D+02 -0.160922D+01 -0.980983D+00  0.624126D+01  0.222379D+01
      2  -0.160922D+01  0.200350D+01  0.574904D-01  0.222379D+01 -0.293029D+01
      3  -0.980983D+00  0.574904D-01  0.181238D+01 -0.489276D+00 -0.303252D+00
                96            97            98            99           100 
      1  -0.489276D+00  0.566916D+01  0.507560D+00  0.680994D+01 -0.827754D+01
      2  -0.303252D+00  0.507560D+00  0.150138D+00  0.230046D+01  0.410639D+01
      3   0.316336D+01  0.680994D+01  0.230046D+01 -0.283278D+00  0.117737D+00
               101           102           103           104           105 
      1   0.410639D+01  0.117737D+00 -0.234863D+01  0.405354D+01 -0.311050D+00
      2  -0.443778D+01  0.384100D-01  0.405354D+01  0.511944D+00 -0.489955D+00
      3   0.384100D-01 -0.121991D+00 -0.311050D+00 -0.489955D+00 -0.120783D+01
               106           107           108           109           110 
      1   0.110823D+01 -0.717212D+00  0.274454D+00 -0.595065D-01 -0.436682D+01
      2  -0.717212D+00  0.518208D+00  0.670918D+00 -0.436682D+01  0.191484D+01
      3   0.274454D+00  0.670918D+00 -0.512513D-01  0.266601D+00  0.765939D+00
               111           112           113           114           115 
      1   0.266601D+00 -0.266157D+01 -0.270404D+01  0.901533D+00 -0.249428D+00
      2   0.765939D+00 -0.270404D+01  0.212448D+01  0.112836D+01  0.971475D+00
      3  -0.206206D+00  0.901533D+00  0.112836D+01  0.635916D+01 -0.279349D+01
               116           117           118           119           120 
      1   0.971475D+00 -0.279349D+01  0.607577D+01 -0.319763D+01 -0.276892D+00
      2   0.596279D+00  0.488911D+01 -0.319763D+01  0.288523D+01  0.180301D-01
      3   0.488911D+01 -0.115345D+01 -0.276892D+00  0.180301D-01  0.300175D+00
               121           122           123           124           125 
      1  -0.484901D+01  0.463067D+01 -0.145218D+00 -0.264014D+00 -0.212544D+00
      2   0.463067D+01 -0.569133D+01  0.891916D-01 -0.212544D+00  0.271569D+00
      3  -0.145218D+00  0.891916D-01 -0.647563D+00 -0.470492D+00 -0.259798D-01
               126           127           128           129           130 
      1  -0.470492D+00  0.153745D+01  0.283413D+01 -0.363215D+00  0.357006D+01
      2  -0.259798D-01  0.283413D+01  0.228406D+01 -0.437772D+00  0.371828D+01
      3   0.136695D+00 -0.363215D+00 -0.437772D+00  0.499068D+00 -0.568466D+00
               131           132           133           134           135 
      1   0.371828D+01 -0.568466D+00 -0.501747D+00 -0.628585D+00  0.313921D+00
      2   0.791610D+01 -0.101110D+01 -0.628585D+00 -0.102470D+01  0.195711D+00
      3  -0.101110D+01  0.110423D+01  0.313921D+00  0.195711D+00 -0.205110D+00
               136           137           138           139           140 
      1  -0.792593D+00 -0.163664D+01  0.242017D+00 -0.547507D+00 -0.126316D+01
      2  -0.163664D+01 -0.241329D+01  0.400025D+00 -0.126316D+01 -0.934862D+01
      3   0.242017D+00  0.400025D+00 -0.285946D+00  0.119079D+00  0.103802D+01
               141           142           143           144           145 
      1   0.119079D+00  0.168123D+00  0.315390D+00  0.634509D-01  0.112601D+01
      2   0.103802D+01  0.315390D+00  0.119868D+01 -0.218616D+00  0.176677D+01
      3  -0.104133D+01  0.634509D-01 -0.218616D+00  0.148532D+00 -0.270765D+00
               146           147           148           149           150 
      1   0.176677D+01 -0.270765D+00  0.888183D+00  0.177684D+01 -0.145081D+00
      2   0.284393D+01 -0.422291D+00  0.177684D+01  0.107703D+02 -0.108031D+01
      3  -0.422291D+00  0.296096D+00 -0.145081D+00 -0.108031D+01  0.108582D+01
               151           152           153           154           155 
      1   0.282027D+00 -0.435092D+00  0.963388D-01 -0.588977D+01  0.353975D+01
      2  -0.435092D+00 -0.138942D+01  0.206710D+00  0.353975D+01 -0.371444D+01
      3   0.963388D-01  0.206710D+00 -0.117077D+00  0.290165D+00 -0.710941D-01
               156           157           158           159           160 
      1   0.290165D+00  0.396091D+01 -0.472978D+01  0.165309D+00  0.879255D-01
      2  -0.710941D-01 -0.472978D+01  0.641633D+01  0.243472D-01  0.297423D+00
      3  -0.474314D+00  0.165309D+00  0.243472D-01  0.797067D+00  0.377410D+00
               161           162           163           164           165 
      1   0.297423D+00  0.377410D+00 -0.197883D+01 -0.215521D+01  0.323263D+00
      2  -0.291606D+00  0.255134D+00 -0.215521D+01 -0.892248D+00  0.242359D+00
      3   0.255134D+00 -0.216465D+00  0.323263D+00  0.242359D+00 -0.425017D+00
               166           167           168           169           170 
      1  -0.327836D+01 -0.290516D+01  0.492886D+00 -0.495405D-01  0.343422D+00
      2  -0.290516D+01 -0.570868D+01  0.799033D+00  0.343422D+00  0.425525D+00
      3   0.492886D+00  0.799033D+00 -0.104462D+01 -0.422460D+00 -0.270329D+00
               171           172           173           174           175 
      1  -0.422460D+00 -0.168104D+01  0.223962D+01  0.208437D+00  0.479183D+01
      2  -0.270329D+00  0.223962D+01 -0.171175D+01 -0.234242D+00 -0.237504D+01
      3   0.342987D-01  0.208437D+00 -0.234242D+00 -0.947982D+00 -0.603816D+00
               176           177           178           179           180 
      1  -0.237504D+01 -0.603816D+00 -0.162683D+00 -0.271158D+00 -0.125861D+01
      2   0.505181D+01  0.400705D+00 -0.271158D+00  0.311332D+00  0.555073D+00
      3   0.400705D+00  0.111680D+01 -0.125861D+01  0.555073D+00  0.402327D+00
               181           182           183           184           185 
      1   0.100251D+02  0.140874D+01 -0.175103D+01 -0.218778D+01 -0.189821D+01
      2   0.140874D+01 -0.138921D+01 -0.473171D+00 -0.189821D+01  0.249422D+01
      3  -0.175103D+01 -0.473171D+00 -0.286486D+01  0.678236D+00 -0.426289D+00
               186           187           188           189           190 
      1   0.678236D+00  0.299545D+01  0.398022D+00 -0.401818D+01  0.485900D+01
      2  -0.426289D+00  0.398022D+00 -0.436017D-03 -0.311963D+01 -0.704861D+00
      3  -0.479978D+01 -0.401818D+01 -0.311963D+01 -0.101378D+01  0.297358D+01
               191           192           193           194           195 
      1  -0.704861D+00  0.297358D+01 -0.458760D+01 -0.858902D+00 -0.297794D+01
      2  -0.118186D+00 -0.939117D+00 -0.858902D+00  0.685148D-01 -0.151172D+00
      3  -0.939117D+00  0.155275D+01 -0.297794D+01 -0.151172D+00 -0.541513D+01
               196           197           198           199           200 
      1   0.391393D+01 -0.160213D+01  0.529462D+00  0.147695D+02  0.185794D+01
      2  -0.160213D+01  0.485602D+00 -0.252010D+01  0.185794D+01  0.100123D+01
      3   0.529462D+00 -0.252010D+01  0.717938D+00 -0.134453D+01 -0.190661D+00
               201           202           203           204           205 
      1  -0.134453D+01  0.572446D+01  0.164090D+01 -0.523650D+00 -0.175281D+01
      2  -0.190661D+00  0.164090D+01  0.132189D+01 -0.283934D+00 -0.225375D+00
      3   0.128659D+01 -0.523650D+00 -0.283934D+00  0.374443D+00  0.171676D+01
               206           207           208           209           210 
      1  -0.225375D+00  0.171676D+01 -0.957976D+00  0.185423D+00 -0.637190D+00
      2  -0.277571D+00 -0.207044D+00  0.185423D+00 -0.673576D+00 -0.165732D+00
      3  -0.207044D+00 -0.409241D+00 -0.637190D+00 -0.165732D+00 -0.627675D+00
               211           212           213           214           215 
      1  -0.222620D+01  0.230500D+01  0.153214D+01 -0.376744D+01  0.174678D+01
      2   0.230500D+01 -0.377516D+01 -0.271880D+01  0.174678D+01 -0.282103D+01
      3   0.153214D+01 -0.271880D+01 -0.325467D+01  0.281147D+01 -0.327877D+01
               216           217           218           219           220 
      1   0.281147D+01  0.384233D+00 -0.683522D-01  0.123480D+01 -0.194298D+01
      2  -0.327877D+01 -0.683522D-01 -0.210385D+00 -0.429784D+00  0.206635D+01
      3  -0.451541D+01  0.123480D+01 -0.429784D+00  0.672223D-01 -0.152963D+01
               221           222           223           224           225 
      1   0.206635D+01 -0.152963D+01  0.550763D+01 -0.221245D+01  0.344095D+01
      2  -0.240745D+01  0.174790D+01 -0.221245D+01  0.228527D+01 -0.287035D+01
      3   0.174790D+01 -0.260898D+01  0.344095D+01 -0.287035D+01  0.528422D+01
               226           227           228           229           230 
      1   0.145890D+00  0.418400D+00  0.910099D+00  0.170335D+01  0.311478D+00
      2   0.418400D+00  0.582058D+00  0.407128D+00  0.311478D+00  0.105038D+01
      3   0.910099D+00  0.407128D+00  0.255190D+01 -0.378264D+00  0.154094D+01
               231           232           233           234           235 
      1  -0.378264D+00  0.123755D+01  0.191597D+00  0.100292D+00  0.255571D+00
      2   0.154094D+01  0.191597D+00  0.134538D+01  0.166572D+01 -0.548231D+00
      3   0.374463D+01  0.100292D+00  0.166572D+01  0.786494D+01 -0.165911D+00
               236           237           238           239           240 
      1  -0.548231D+00 -0.165911D+00 -0.239440D+01 -0.387625D-01  0.502625D+00
      2   0.116702D+01 -0.348871D+00 -0.387625D-01 -0.515020D+01  0.116919D+01
      3  -0.348871D+00  0.111431D+01  0.502625D+00  0.116919D+01 -0.156757D+01
               241           242           243           244           245 
      1  -0.645775D+00 -0.238458D+00  0.489925D+00 -0.155493D+02 -0.190136D+01
      2  -0.238458D+00  0.384689D+00 -0.359129D+00 -0.190136D+01 -0.110169D+01
      3   0.489925D+00 -0.359129D+00  0.201089D+00  0.408841D+01  0.587753D+00
               246           247           248           249           250 
      1   0.408841D+01 -0.170386D+01 -0.129755D+01  0.276754D+00  0.116251D+01
      2   0.587753D+00 -0.129755D+01 -0.552724D+00  0.492800D+00  0.158509D+00
      3  -0.257033D+01  0.276754D+00  0.492800D+00  0.207531D+00 -0.145049D+01
               251           252           253           254           255 
      1   0.158509D+00 -0.145049D+01 -0.918044D+01  0.272897D+01 -0.454557D+01
      2  -0.601218D-02  0.483517D-01  0.272897D+01 -0.143363D+01  0.798655D+00
      3   0.483517D-01  0.100644D+01 -0.454557D+01  0.798655D+00 -0.293151D+01
               256           257           258           259           260 
      1   0.760492D+01 -0.186733D+01  0.287840D+01 -0.966014D+01  0.124325D+01
      2  -0.186733D+01  0.396962D+01 -0.217585D+01  0.124325D+01 -0.217846D+01
      3   0.287840D+01 -0.217585D+01  0.402857D+01 -0.596146D+01  0.262291D+01
               261           262           263           264           265 
      1  -0.596146D+01  0.205777D+01 -0.572568D+00  0.995314D+00 -0.439945D+01
      2   0.262291D+01 -0.572568D+00  0.115367D+01  0.132329D+01 -0.481415D+00
      3  -0.760506D+01  0.995314D+00  0.132329D+01  0.184700D+01  0.165371D+01
               266           267           268           269           270 
      1  -0.481415D+00  0.165371D+01  0.244397D+01  0.256563D+01  0.293573D+01
      2  -0.363242D+01  0.113790D+01  0.256563D+01  0.306163D+01  0.190264D+01
      3   0.113790D+01  0.178920D+01  0.293573D+01  0.190264D+01  0.484729D+01
               271           272           273           274           275 
      1  -0.148311D+01 -0.165333D+01 -0.150926D+01 -0.112961D+01 -0.141712D+01
      2  -0.165333D+01 -0.155103D+01 -0.114961D+01 -0.141712D+01 -0.299029D+01
      3  -0.150926D+01 -0.114961D+01 -0.162220D+01 -0.100691D+01 -0.160395D+01
               276           277           278           279 
      1  -0.100691D+01 -0.278461D+01 -0.233632D+01 -0.313922D+01
      2  -0.160395D+01 -0.233632D+01 -0.364622D+01 -0.352183D+01
      3  -0.192225D+01 -0.313922D+01 -0.352183D+01 -0.560086D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.774287D+00  0.515503D+01 -0.259160D+01  0.530700D+01 -0.129227D+01
      2  -0.112643D+02  0.470651D+01  0.572606D+00  0.720083D+01 -0.378868D+01
      3   0.756730D+01  0.176887D+02 -0.170927D+01  0.448354D+02 -0.459346D+01
                 6             7             8             9            10 
      1   0.329615D+01  0.270663D+00  0.146679D+02 -0.158583D+01 -0.289607D+00
      2  -0.650340D+00  0.228325D+01  0.312541D+01 -0.224747D+01 -0.205063D+01
      3  -0.312030D+01 -0.507555D+01 -0.285658D+01  0.380574D+01 -0.240070D+02
                11            12            13            14            15 
      1   0.379819D+01  0.575356D+01 -0.481794D+00 -0.213625D+00 -0.177388D+01
      2   0.130739D+01  0.821399D+01  0.124320D+01 -0.247974D+01 -0.397664D+01
      3   0.425644D+01 -0.152080D+00 -0.233649D+02 -0.107936D+02  0.344345D+01
                16            17            18            19            20 
      1   0.120908D+02  0.460071D+01 -0.273446D+01 -0.231618D+01 -0.413324D+01
      2  -0.571227D+01 -0.123447D+02  0.405662D+00  0.965783D+01 -0.609044D+01
      3   0.429731D+01  0.136112D+01  0.466171D+00 -0.357642D+02 -0.272760D+02
                21            22            23            24            25 
      1   0.103967D+01 -0.161773D+01  0.263962D+01 -0.327320D+01 -0.814312D+01
      2   0.313270D+01 -0.728914D+01  0.602745D+01  0.438702D+01 -0.172987D+02
      3   0.453552D+01  0.704188D+01  0.114679D+02 -0.285021D+01  0.460639D+01
                26            27            28            29            30 
      1   0.293644D+01  0.894537D+00  0.888589D+00  0.494329D+01 -0.955488D+00
      2   0.184847D+02 -0.195081D+01 -0.159924D+02  0.898156D+01 -0.466474D+01
      3  -0.151219D+01 -0.923601D+01  0.308569D+02  0.388805D+02 -0.596962D+01
                31            32            33            34            35 
      1   0.487474D+01  0.295008D+00  0.100522D+01 -0.591581D+01  0.692319D+01
      2  -0.694809D+01 -0.182179D+01  0.887855D+00 -0.197320D+02  0.159536D+01
      3   0.742736D+02 -0.312161D+02 -0.291530D+01 -0.816120D+01 -0.182608D+01
                36            37            38            39            40 
      1   0.245024D-01 -0.484275D+00  0.312454D+01 -0.798524D+00  0.344981D+01
      2   0.169123D+01  0.135993D+02  0.222319D+01 -0.415483D+00  0.120095D+02
      3   0.448435D+00 -0.198136D+02  0.451315D+02 -0.466795D+01  0.236638D+02
                41            42            43            44            45 
      1  -0.387061D+01 -0.358974D+00 -0.444253D+01  0.829163D+01 -0.324544D+00
      2  -0.525269D+01 -0.448125D+00 -0.229335D+02  0.257037D+01  0.152053D+01
      3  -0.301852D+02  0.140095D+01  0.299846D+01 -0.253696D+01  0.108796D+01
                46            47            48            49            50 
      1   0.218478D+01 -0.528194D+01 -0.500207D+01 -0.960119D+00  0.219199D+01
      2  -0.599865D+00 -0.467778D+01 -0.600998D+01 -0.118442D+01  0.194591D+01
      3   0.397841D+02 -0.344705D+02  0.319075D+01 -0.921019D+01  0.332593D+02
                51            52            53            54            55 
      1  -0.236213D+01 -0.696788D+01 -0.242395D+01  0.177285D+01  0.186331D+01
      2  -0.184166D+01 -0.232087D+02 -0.275234D+01  0.414289D+01  0.434591D+01
      3  -0.173987D+01  0.142032D+01  0.189425D+01  0.104016D+02  0.364276D+02
                56            57            58            59            60 
      1  -0.155708D+01 -0.515553D+01 -0.310841D+01  0.167712D+01 -0.337109D+01
      2  -0.581154D+01  0.570743D+00 -0.388776D+01  0.443070D+01 -0.341697D+00
      3  -0.323144D+02  0.149174D+01 -0.926868D+01  0.259939D+02 -0.133276D+01
                61            62            63            64            65 
      1  -0.800983D+01 -0.534781D+01  0.375234D+01  0.154732D+00 -0.193702D+01
      2  -0.174687D+02  0.150840D+00  0.156116D+01 -0.387361D+01  0.129424D+01
      3  -0.220689D+00  0.161133D+01  0.462759D+01 -0.195363D+02  0.429368D+01
                66            67            68            69            70 
      1   0.656808D+01  0.361089D+01 -0.193671D+01 -0.460507D+00  0.147173D+02
      2   0.356862D+01 -0.783693D+01 -0.102676D+01 -0.228652D+01 -0.357002D+01
      3  -0.165575D+01  0.959497D+01 -0.140623D+01 -0.144339D+01 -0.304131D+01
                71            72            73            74            75 
      1   0.568049D+01 -0.282529D+01 -0.733698D+01  0.191079D+01 -0.336606D+00
      2  -0.913558D+01  0.213688D+01  0.184117D+02 -0.153135D+01 -0.116983D+01
      3  -0.516606D+00 -0.633253D+01 -0.475561D+02  0.135503D+02  0.667681D+00
                76            77            78            79            80 
      1   0.115566D+01  0.525364D+01 -0.995472D-01  0.293728D+01  0.144949D+02
      2   0.854009D+00  0.639705D+00  0.201743D+01 -0.104507D+02  0.236800D+01
      3   0.367103D+02 -0.943547D+01  0.698621D+00 -0.194635D+01 -0.218050D+01
                81            82            83            84            85 
      1  -0.265371D+01  0.760208D+00 -0.748659D+00  0.111381D+01 -0.171548D+01
      2   0.206149D+01 -0.200843D+02  0.738992D+00  0.336593D+00  0.928107D+01
      3  -0.469677D+01  0.195471D+02 -0.400937D+02  0.440611D+01 -0.147378D+02
                86            87            88            89            90 
      1  -0.807052D+00 -0.914605D+00 -0.494655D+01  0.396843D+01 -0.612723D+00
      2   0.379927D+00  0.193264D+01 -0.186422D+02  0.918908D+01 -0.649843D+00
      3   0.548633D+01 -0.694449D+00 -0.931329D-01  0.212369D+01 -0.190116D+01
                91            92            93            94            95 
      1   0.432695D+01  0.227018D+01  0.890035D+00  0.503145D+01 -0.153595D+01
      2  -0.658485D+01  0.677347D+00 -0.555159D+00 -0.627325D+01 -0.104502D+01
      3   0.144614D+02  0.134812D+01  0.798280D+00  0.312662D+02 -0.163341D+02
                96            97            98            99           100 
      1  -0.511685D+01  0.428793D+01  0.206948D+01  0.135388D+01  0.166234D+01
      2  -0.916410D+01 -0.379411D+02 -0.811829D+01 -0.332289D+01  0.441677D+01
      3  -0.118369D+01  0.105368D+02 -0.120284D+01  0.156620D+02  0.153596D+01
               101           102           103           104           105 
      1  -0.534118D+01  0.350749D+01 -0.233725D+00 -0.122346D+01 -0.567711D+01
      2  -0.384902D+01  0.148886D+02 -0.140656D+01 -0.210987D+01 -0.707732D+01
      3  -0.447855D+02  0.208700D+01 -0.799775D+01 -0.552879D+01  0.209620D+01
               106           107           108           109           110 
      1   0.171155D+01 -0.168300D+01  0.176909D+00  0.953340D+00  0.203232D+01
      2  -0.615817D+01  0.246416D+01 -0.751537D+00  0.917049D+00  0.497854D+01
      3   0.650789D+00  0.483597D+01 -0.310037D+01  0.342850D+02  0.683529D+01
               111           112           113           114           115 
      1  -0.149603D+01  0.156356D+01 -0.824612D+00  0.743340D+01 -0.139338D+02
      2  -0.208066D+01  0.577921D+01  0.515638D+01  0.403666D+02 -0.200976D+02
      3  -0.704679D+01  0.266127D+02 -0.305897D+02 -0.745124D+01 -0.625769D+01
               116           117           118           119           120 
      1   0.950928D+01 -0.245346D+01 -0.134788D+01  0.497945D+00  0.184404D+01
      2   0.313877D+02 -0.776484D+01 -0.223914D+01  0.593494D+00  0.164414D+01
      3  -0.507564D+01 -0.311270D+02 -0.490887D+01 -0.490744D+01  0.730789D+00
               121           122           123           124           125 
      1   0.471896D-01 -0.187430D+00 -0.310727D+01 -0.267075D+01  0.133575D+01
      2   0.235273D+00 -0.239028D+00 -0.324943D+01 -0.289279D+01  0.241517D+00
      3  -0.453240D+01  0.133949D+02 -0.224283D+00  0.164184D+01 -0.898119D+00
               126           127           128           129           130 
      1   0.361131D+00  0.123881D+00  0.154196D+00 -0.154415D+01  0.334582D+00
      2   0.677714D+00 -0.839983D+00 -0.108404D+01  0.204775D+01 -0.104902D+01
      3   0.100629D+01 -0.423694D+01 -0.438771D+01  0.800091D+00 -0.178911D+01
               131           132           133           134           135 
      1  -0.183193D+00 -0.401891D+01  0.260821D-01  0.180413D+01  0.433520D+00
      2  -0.267990D+01  0.398140D+01 -0.186519D+01 -0.372712D-01 -0.415456D+00
      3  -0.189808D+02  0.205040D+01  0.865552D+00  0.225681D+01  0.185747D+00
               136           137           138           139           140 
      1   0.324003D+00  0.779698D-01 -0.156917D+01 -0.774294D-01 -0.519949D+00
      2   0.962312D+00  0.893523D+00  0.121322D+00  0.605086D+00  0.187739D+01
      3   0.835456D+01  0.540288D+01 -0.123378D+01  0.630534D+01  0.189794D+02
               141           142           143           144           145 
      1  -0.455248D+01  0.566052D+00  0.300089D+01  0.167252D+00  0.100775D+01
      2  -0.580602D+00 -0.362758D+00 -0.466682D-01 -0.105067D+00  0.465751D+00
      3  -0.220370D+01 -0.158925D+01 -0.271757D+01 -0.188213D+00  0.591078D+01
               146           147           148           149           150 
      1   0.107410D+01 -0.190311D+01  0.720424D+00  0.278947D+01 -0.565598D+01
      2  -0.411314D-01  0.905585D+00  0.250903D+00 -0.156426D+00  0.126425D+01
      3   0.255737D+01 -0.831228D+00  0.578842D+01  0.396086D+01 -0.618079D+00
               151           152           153           154           155 
      1   0.127063D+01  0.227755D+01  0.301096D+00  0.115769D+00 -0.465736D+00
      2  -0.136935D+01  0.104403D+01 -0.553771D+00 -0.786127D-01 -0.223077D+00
      3  -0.718624D+00 -0.112233D+01 -0.689892D+00 -0.106009D+02  0.945881D+00
               156           157           158           159           160 
      1   0.277363D+01 -0.173303D+01  0.160059D+01 -0.372917D+01 -0.275713D+01
      2   0.193503D+01 -0.866484D+00  0.454182D+00 -0.281903D+01 -0.241062D+01
      3   0.490259D+00  0.387700D+01  0.721414D+00  0.306982D+00  0.139962D+01
               161           162           163           164           165 
      1   0.102893D+01  0.688638D+00 -0.835217D+00 -0.192892D-01 -0.157757D+01
      2   0.116806D-02  0.394103D+00  0.401812D+00  0.497126D+00  0.267607D+00
      3   0.225998D+00  0.954228D+00  0.189441D+01  0.878473D+00  0.171919D-02
               166           167           168           169           170 
      1  -0.722550D+00 -0.209116D+01 -0.352969D+01 -0.156834D+01  0.207835D+01
      2   0.123881D+01 -0.938937D-01  0.171604D+01 -0.168613D+01 -0.865365D+00
      3   0.529663D+01 -0.451703D+01  0.297864D+00 -0.139753D+01  0.475291D+00
               171           172           173           174           175 
      1   0.580718D-01  0.972058D+00 -0.714208D+00  0.102902D+01 -0.216865D+00
      2   0.712586D+00 -0.479504D-01 -0.392573D+00  0.400371D+01 -0.204048D-01
      3   0.686764D+00  0.840218D+01 -0.693415D+01 -0.904313D+00 -0.163855D+01
               176           177           178           179           180 
      1   0.278609D+01 -0.247419D+01  0.141932D+00  0.163136D+01  0.364289D+00
      2   0.322725D+00 -0.411254D+01  0.236428D+01 -0.128810D+01 -0.796187D+00
      3   0.184652D+02  0.445860D+00 -0.167758D+01  0.121055D+01  0.942706D+00
               181           182           183           184           185 
      1   0.261060D+01 -0.569009D+01 -0.215124D+01 -0.367553D+01  0.732421D+01
      2  -0.129305D+02 -0.200808D+01  0.174848D+02 -0.362767D+01  0.596025D+01
      3  -0.188967D+01 -0.127770D+02  0.179817D+01 -0.125947D+02  0.146663D+02
               186           187           188           189           190 
      1  -0.507526D+01  0.941383D+00 -0.407448D+00 -0.940195D+01 -0.659217D+00
      2   0.166870D+02  0.130136D+02  0.107661D+02  0.104374D+02  0.948556D+01
      3   0.985445D+00  0.691497D+01 -0.385301D+00 -0.125627D+02 -0.784272D+01
               191           192           193           194           195 
      1  -0.848761D+01 -0.434150D+01 -0.762812D+01  0.252477D+01  0.344491D+00
      2   0.525913D+01  0.363592D+01  0.218667D+02  0.190613D+01  0.201937D+02
      3  -0.613787D+01 -0.613503D+01 -0.766431D+01 -0.240196D+00  0.170519D+01
               196           197           198           199           200 
      1   0.135345D+01 -0.241178D+01  0.193923D+00 -0.154984D+01 -0.858235D+00
      2  -0.525449D+01  0.817109D+01 -0.140559D+02 -0.422754D+01 -0.799959D+00
      3  -0.658691D+01  0.201812D+02 -0.112445D+02 -0.216972D+02 -0.112519D+02
               201           202           203           204           205 
      1   0.431897D+00 -0.788683D+00 -0.687236D+00 -0.677563D+00  0.166354D+01
      2   0.987432D+01 -0.177235D+01 -0.122147D+01  0.261879D+01  0.797054D+01
      3   0.234329D+01 -0.124186D+02 -0.923333D+01  0.205293D+01  0.266824D+01
               206           207           208           209           210 
      1   0.222040D+00 -0.602575D-01  0.787971D+00 -0.172099D-02 -0.139752D+01
      2  -0.123005D+01 -0.212315D+01 -0.531788D+01 -0.124850D+01 -0.298190D+01
      3   0.228231D+01  0.699087D+00  0.152992D+01  0.289824D+01  0.180266D+01
               211           212           213           214           215 
      1   0.833805D+00  0.625699D-01 -0.402414D+01  0.286309D+01  0.214656D+00
      2   0.577828D+01 -0.141159D+02 -0.187396D+02  0.112967D+02 -0.187706D+02
      3  -0.108101D+02  0.272949D+02  0.157477D+02 -0.706892D+01  0.188488D+02
               216           217           218           219           220 
      1  -0.464890D+01  0.193276D+00 -0.240946D+00 -0.154960D+00 -0.202572D+01
      2  -0.246354D+02  0.848348D+01 -0.269342D+01  0.114207D+01 -0.776809D+01
      3   0.195810D+02  0.191384D+01 -0.488086D+00  0.185892D+01 -0.102172D+02
               221           222           223           224           225 
      1   0.213477D+01 -0.438691D+01  0.517427D+01 -0.114901D+01  0.739289D+01
      2   0.102387D+02 -0.160924D+02  0.161754D+02 -0.178164D+02  0.315543D+02
      3   0.186919D+02 -0.103601D+02  0.916966D+01 -0.161122D+02  0.174071D+02
               226           227           228           229           230 
      1   0.108764D+01  0.282345D+01  0.126761D+01  0.173194D+01  0.369196D+01
      2  -0.554360D+01 -0.218321D+01 -0.988214D+01 -0.246378D+01 -0.615871D+01
      3   0.151946D+01  0.222968D+01  0.114436D+00  0.316034D+01  0.330407D+01
               231           232           233           234           235 
      1   0.293458D+01  0.672770D+00  0.624320D+01  0.689250D+01 -0.275147D+01
      2  -0.127796D+02 -0.559896D+01 -0.704745D+01 -0.284568D+02 -0.153969D+01
      3   0.402125D+01 -0.229895D+00  0.394791D+01  0.399715D+01 -0.667345D+01
               236           237           238           239           240 
      1   0.308467D+01  0.121578D+01  0.147195D+01 -0.115609D+02 -0.159707D+01
      2   0.257615D+01 -0.290222D+01  0.269753D+01 -0.592076D+01  0.447580D+01
      3   0.590194D+01 -0.810662D+00  0.502459D+01 -0.210457D+02  0.388498D+01
               241           242           243           244           245 
      1   0.414524D+00  0.100628D+01 -0.152774D+01 -0.184915D+01 -0.302562D+01
      2  -0.152814D+01  0.123022D+01 -0.159023D+01  0.113292D+02  0.328142D+00
      3   0.855720D+00  0.824535D+00 -0.219590D+01 -0.199953D+01 -0.764783D+01
               246           247           248           249           250 
      1  -0.388452D+00 -0.202073D+01 -0.161996D+01 -0.119514D+00 -0.367141D+00
      2   0.686628D+01  0.156554D+01 -0.261998D+00 -0.997229D+00  0.184862D+01
      3   0.164767D+01 -0.310916D+01 -0.336050D+01  0.143650D+01 -0.129491D+01
               251           252           253           254           255 
      1   0.965144D+00  0.785767D+00 -0.433170D+01  0.580773D+01  0.291352D+01
      2  -0.597515D+00 -0.170533D+01  0.853556D+01 -0.202903D+01  0.116797D+02
      3   0.129592D+01  0.725877D+00  0.901737D+01 -0.105232D+02  0.367104D+01
               256           257           258           259           260 
      1   0.412512D+01 -0.641063D+01 -0.203345D+01 -0.127543D+01  0.105133D+02
      2  -0.157259D+02  0.675996D+01 -0.155700D+02  0.193148D+02 -0.913220D+01
      3  -0.328613D+00  0.189843D+02 -0.833681D+01 -0.443335D+01 -0.192323D+02
               261           262           263           264           265 
      1  -0.109736D+00  0.448842D+01  0.946517D+00  0.246919D+01 -0.197866D+01
      2   0.333856D+02 -0.551610D+01 -0.660591D+01 -0.444458D+01 -0.474551D+01
      3   0.845403D+01 -0.214353D+01  0.284597D+01  0.440741D+01  0.207666D+01
               266           267           268           269           270 
      1   0.303164D+01 -0.655319D+01  0.143199D+01  0.102450D+01  0.673101D+01
      2  -0.314226D+01 -0.612813D+01 -0.945862D+01 -0.582873D+01 -0.157526D+02
      3  -0.176703D+02  0.455255D+01  0.762743D+01  0.822004D+01  0.422675D+01
               271           272           273           274           275 
      1   0.201762D-01  0.801644D+00 -0.145383D+01 -0.116443D+01 -0.606477D+00
      2   0.360966D+01  0.378150D+01  0.515065D+01  0.225937D+01  0.541549D+01
      3  -0.429368D+01 -0.525400D+01 -0.329441D+01 -0.259155D+01 -0.958512D+01
               276           277           278           279 
      1  -0.300718D+01 -0.158100D+01  0.538849D+00 -0.583915D+01
      2   0.632645D+01  0.811935D+01  0.122665D+02  0.203044D+02
      3  -0.476157D+01 -0.586015D+01 -0.134205D+02 -0.120910D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124267D+03 -0.380046D+02 -0.447416D+01  0.323565D+01 -0.216692D+02
      2  -0.692195D+02  0.251566D+02  0.896944D+00 -0.805025D+01  0.262961D+02
      3  -0.550474D+02  0.128480D+02  0.357722D+01  0.481460D+01 -0.462691D+01
      4  -0.173683D+02  0.276999D+02 -0.123654D+01 -0.219017D+02 -0.583818D+02
      5   0.993577D+00 -0.659938D+00  0.309596D+01  0.760009D+01  0.450336D+01
      6  -0.291770D+00  0.155909D+01  0.486408D+01  0.497471D+01 -0.356546D+01
                 6             7             8             9            10 
      1   0.392919D+01 -0.162717D+01  0.737006D+01  0.262492D+02  0.160226D+01
      2  -0.506292D+01  0.282151D+01 -0.638578D+01 -0.239351D+02 -0.170360D+01
      3   0.113373D+01 -0.119434D+01 -0.984285D+00 -0.231416D+01  0.101345D+00
      4   0.772948D+01  0.917844D+01  0.241620D+01 -0.317785D+01  0.292074D+02
      5  -0.171012D+01  0.520687D+02 -0.840263D+01 -0.403298D+01  0.435783D+01
      6  -0.475592D+01 -0.736499D+00  0.442435D+01  0.160797D+01 -0.538887D+01
                11            12            13            14            15 
      1   0.577526D+02 -0.395043D+01 -0.782661D+02  0.298826D+02  0.229438D+01
      2  -0.388332D+02  0.341790D+00  0.531978D+02 -0.251417D+02 -0.147545D+01
      3  -0.189195D+02  0.360864D+01  0.250684D+02 -0.474090D+01 -0.818936D+00
      4   0.400462D+02 -0.817416D+01  0.302512D+02  0.263203D+02 -0.802289D+01
      5  -0.944760D+01  0.176830D+02  0.410425D+01 -0.629575D+01 -0.982320D+01
      6   0.305578D+01 -0.117547D+02 -0.577509D+01  0.259686D+01  0.495021D+01
                16            17            18            19            20 
      1   0.121157D+02 -0.119238D+02  0.343734D+00 -0.118187D+03  0.183897D+02
      2  -0.107958D+02  0.929092D+01 -0.674085D+01  0.552149D+02 -0.916060D+01
      3  -0.131991D+01  0.263286D+01  0.639711D+01  0.629718D+02 -0.922915D+01
      4  -0.672606D+01 -0.934821D+01 -0.166316D+02  0.226639D+02 -0.342302D+02
      5   0.269720D+02 -0.185550D+02  0.286136D+01  0.788114D+01  0.608566D+01
      6  -0.159132D+02  0.114196D+02  0.269007D+01  0.520905D+01  0.105321D+01
                21            22            23            24            25 
      1   0.651109D+01  0.939906D+02 -0.168375D+02 -0.699908D+01  0.198725D+01
      2  -0.313135D+01 -0.603167D+02 -0.272189D+01  0.623954D+01  0.118319D+01
      3  -0.337974D+01 -0.336739D+02  0.195594D+02  0.759539D+00 -0.317045D+01
      4   0.538608D+01 -0.152352D+02  0.221143D+02  0.309601D+01  0.309603D+01
      5   0.366568D+01 -0.339183D+01  0.411266D+01  0.102931D+02  0.538577D+01
      6  -0.316018D+00  0.218205D+01  0.586640D+01  0.532415D+01  0.411556D+01
                26            27            28            29            30 
      1   0.214123D+01 -0.179678D+02  0.103304D+03 -0.966223D+01 -0.925909D+01
      2   0.317811D+01  0.125852D+01 -0.465667D+02  0.538276D+01  0.310540D+01
      3  -0.531933D+01  0.167093D+02 -0.567372D+02  0.427947D+01  0.615369D+01
      4   0.857493D+01  0.259601D+02 -0.229049D+02  0.489613D+01  0.659271D+00
      5   0.268727D+02 -0.366679D+01 -0.676311D+01 -0.131318D+01 -0.842241D+01
      6   0.157470D+02 -0.155920D+01 -0.370895D+01  0.145697D+01  0.107673D+01
                31            32            33            34            35 
      1   0.941221D+02 -0.334344D+02 -0.573636D+01 -0.206677D+02  0.368724D+01
      2  -0.441829D+02  0.295427D+02  0.885998D+00  0.948009D+01 -0.314989D+01
      3  -0.499392D+02  0.389171D+01  0.485037D+01  0.111876D+02 -0.537343D+00
      4  -0.175132D+02  0.157914D+02 -0.521193D+00  0.419384D+01 -0.619454D+00
      5   0.349879D+01 -0.278235D+01  0.283056D+00 -0.945712D-01  0.304816D+01
      6  -0.311997D+01  0.316035D+00 -0.214595D+01  0.424056D+01  0.446230D+01
                36            37            38            39            40 
      1  -0.720722D+01 -0.952490D+02  0.528170D+02  0.658068D+00 -0.901926D+02
      2  -0.152843D+01  0.510811D+02 -0.329619D+02 -0.148159D+01  0.487384D+02
      3   0.873565D+01  0.441679D+02 -0.198550D+02  0.823520D+00  0.414542D+02
      4   0.311843D+01  0.556933D+02 -0.490299D+01 -0.285896D+01 -0.674239D+01
      5   0.239164D+01  0.514896D+00 -0.139328D+01  0.827742D+00 -0.104037D+01
      6   0.830406D+00 -0.771285D+00 -0.982712D+00  0.119015D+01  0.403119D+01
                41            42            43            44            45 
      1  -0.154579D+01  0.691695D+01  0.152589D+02 -0.651697D+01 -0.120762D+02
      2   0.442032D+01 -0.491642D+01 -0.753815D+01  0.372160D+01 -0.382936D+00
      3  -0.287453D+01 -0.200053D+01 -0.772072D+01  0.279537D+01  0.124592D+02
      4  -0.481333D+01  0.133274D+01 -0.517624D+01  0.100453D+01  0.999333D+00
      5   0.270044D+01 -0.132242D+00 -0.927220D+00 -0.130995D+01  0.134222D+01
      6  -0.307784D+01 -0.104175D-01  0.214469D+01  0.320883D+01 -0.122792D+00
                46            47            48            49            50 
      1   0.709471D+01 -0.558260D+02  0.166602D+01 -0.174721D+00  0.269404D+02
      2  -0.696323D+01  0.353866D+02  0.452205D+00 -0.491868D+01 -0.253607D+02
      3  -0.131472D+00  0.204394D+02 -0.211822D+01  0.509341D+01 -0.157973D+01
      4  -0.383740D+02 -0.319857D+02  0.513236D+01  0.340557D+02 -0.171875D+02
      5  -0.257273D+01  0.585063D+01 -0.135782D+02 -0.176875D+01 -0.348441D+00
      6   0.480667D+01  0.226101D+01  0.959588D+01  0.425168D+00  0.592505D+01
                51            52            53            54            55 
      1  -0.523223D+01 -0.275949D+01 -0.468807D+00 -0.218129D+02  0.120636D+02
      2   0.542260D+01  0.271830D+01  0.538180D+01  0.660244D+01 -0.102908D+02
      3  -0.190371D+00  0.411910D-01 -0.491299D+01  0.152104D+02 -0.177286D+01
      4  -0.144467D+01 -0.872793D+00  0.457530D+01 -0.117286D+02  0.725100D+01
      5  -0.157238D+01  0.736079D+00 -0.133497D+02  0.718356D+01  0.723822D+01
      6   0.562849D+01  0.235968D+00  0.201079D+02 -0.426416D+01  0.117439D+01
                56            57            58            59            60 
      1  -0.517205D+02 -0.741533D+00  0.206473D+02  0.624769D-01 -0.434389D+01
      2   0.436477D+02  0.549302D+00 -0.187363D+02 -0.114414D+02  0.528361D+01
      3   0.807283D+01  0.192231D+00 -0.191099D+01  0.113790D+02 -0.939727D+00
      4  -0.705119D+01  0.672034D+00 -0.938629D-01 -0.127117D+02  0.254971D+01
      5   0.329280D+01 -0.146592D+01 -0.208028D+01  0.221152D+01  0.166480D+01
      6   0.709190D+01  0.103237D+02  0.114109D+01  0.810839D+01  0.808084D+01
                61            62            63            64            65 
      1  -0.601689D+01  0.829633D+00 -0.250988D+02 -0.690577D+01  0.731577D+02
      2   0.556484D+01  0.312244D+01  0.144228D+02  0.157144D+01 -0.608761D+02
      3   0.452053D+00 -0.395207D+01  0.106761D+02  0.533433D+01 -0.122817D+02
      4   0.740641D+00  0.535522D+01  0.565856D+01  0.591592D+01 -0.157802D+02
      5   0.503731D+01  0.610249D+00  0.223002D+01 -0.292723D+00 -0.470568D+01
      6   0.450121D+01  0.266423D+02 -0.349831D+01 -0.304334D+01 -0.106387D+01
                66            67            68            69            70 
      1  -0.460815D+01 -0.228388D+02  0.349330D+02 -0.626097D+01  0.105797D+02
      2   0.328237D+01  0.274854D+02 -0.373074D+02  0.272750D+01 -0.826289D+01
      3   0.132577D+01 -0.464656D+01  0.237438D+01  0.353347D+01 -0.231680D+01
      4   0.253155D+00  0.790583D+01  0.122494D+02 -0.286005D+01 -0.246334D+01
      5   0.828422D+01  0.131491D+01 -0.565281D+01 -0.638598D+01  0.259865D+02
      6  -0.121168D+02 -0.670528D+01  0.701158D+00  0.358738D+01 -0.194943D+02
                71            72            73            74            75 
      1  -0.170104D+02 -0.136165D+02 -0.426757D+00  0.873906D+01  0.974838D+00
      2   0.137629D+02  0.376158D+01 -0.140550D+02 -0.111715D+02  0.298709D+01
      3   0.324751D+01  0.985495D+01  0.144817D+02  0.243240D+01 -0.396192D+01
      4  -0.416983D+00 -0.102460D+02  0.224116D+02  0.856504D+01 -0.231815D+01
      5  -0.775161D+01 -0.683160D+00 -0.741961D+01 -0.179113D+01  0.162711D+01
      6   0.162948D+02  0.615797D+01  0.270023D+01 -0.310928D+01 -0.338977D+01
                76            77            78            79            80 
      1   0.312322D+02 -0.716918D+02  0.431606D+01  0.107565D+02  0.482570D+01
      2  -0.218263D+02  0.690614D+02 -0.548176D+01 -0.195733D+01 -0.615667D+01
      3  -0.940591D+01  0.263042D+01  0.116570D+01 -0.879916D+01  0.133096D+01
      4  -0.377522D+02 -0.908867D+00  0.139793D+01  0.522401D+01 -0.196381D+01
      5   0.532961D+01  0.387490D+01  0.290772D+01  0.299903D+02 -0.186651D+01
      6   0.342298D+01  0.298056D+01 -0.217411D+01 -0.744485D+01  0.480091D+01
                81            82            83            84            85 
      1  -0.300061D+01  0.602579D+02 -0.586287D+02 -0.544614D+00  0.738836D+01
      2  -0.821151D+01 -0.334340D+02  0.434569D+02 -0.182279D+01 -0.177874D+02
      3   0.112121D+02 -0.268239D+02  0.151718D+02  0.236740D+01  0.103990D+02
      4   0.396407D+01 -0.504735D+02  0.337806D+01  0.392573D+01  0.249909D+02
      5  -0.387437D+01  0.315390D+01  0.384758D+01 -0.334661D+01 -0.188529D+01
      6   0.333628D+01  0.168059D+01  0.305924D+01  0.591399D+00  0.177060D+01
                86            87            88            89            90 
      1   0.332825D+02 -0.105267D+01 -0.482966D+01  0.633884D+01 -0.833709D+01
      2  -0.359831D+02  0.468280D+01  0.189226D+01  0.481339D+00 -0.603938D+01
      3   0.270065D+01 -0.363013D+01  0.293740D+01 -0.682018D+01  0.143765D+02
      4  -0.559808D+01 -0.191816D+00  0.668872D+01  0.172808D+01  0.362165D+01
      5   0.187550D+00  0.583537D+01  0.349750D+01  0.921461D+01 -0.928862D+00
      6   0.111604D+01  0.293857D+01  0.281966D+01  0.611354D+01 -0.263661D+01
                91            92            93            94            95 
      1   0.136108D+02  0.870176D+01 -0.590090D+01 -0.316132D+01 -0.130941D+02
      2  -0.807707D+01 -0.272875D+01 -0.518861D+01  0.135242D+02  0.205311D+01
      3  -0.553370D+01 -0.597301D+01  0.110895D+02 -0.103629D+02  0.110410D+02
      4  -0.562956D+01 -0.157280D+02 -0.319797D+01 -0.318516D+02  0.319336D+02
      5   0.267712D+01 -0.314707D+01 -0.992750D+01  0.354537D+01  0.393396D+01
      6  -0.509312D+01  0.338153D+01 -0.335846D+01  0.423138D+01 -0.556369D+01
                96            97            98            99           100 
      1  -0.537418D+01 -0.121820D+02 -0.321832D+01 -0.107103D+02  0.223392D+02
      2  -0.607731D+01  0.287280D+01  0.623341D+00  0.700358D+01 -0.146529D+02
      3   0.114515D+02  0.930924D+01  0.259498D+01  0.370676D+01 -0.768628D+01
      4   0.282369D+01 -0.463627D+01  0.856699D+00 -0.244338D+02  0.240839D+02
      5  -0.226145D+02 -0.521947D+02 -0.188729D+02  0.799716D+01 -0.277818D+01
      6  -0.376820D+01 -0.109438D+02 -0.473268D+01  0.248296D+01  0.259355D+00
               101           102           103           104           105 
      1   0.318845D+02  0.569517D+00 -0.471169D+01  0.175981D+02 -0.343325D+01
      2  -0.199071D+02  0.182127D+01  0.560263D+01 -0.767378D+01  0.265083D+01
      3  -0.119774D+02 -0.239078D+01 -0.890948D+00 -0.992437D+01  0.782419D+00
      4   0.755074D+01  0.370941D+00  0.459684D+02  0.944422D+01 -0.460141D+01
      5   0.275182D+00  0.290443D+02 -0.528812D+01 -0.276119D+01 -0.122978D+02
      6  -0.226407D+01 -0.636721D+01 -0.209393D+01  0.433192D+00  0.987908D+01
               106           107           108           109           110 
      1   0.484587D+00 -0.396861D+01  0.272808D+01 -0.689557D+02 -0.451802D+02
      2   0.138216D+01  0.329195D+01 -0.986320D+00  0.418737D+02  0.234749D+02
      3  -0.186675D+01  0.676663D+00 -0.174176D+01  0.270819D+02  0.217053D+02
      4  -0.501036D+01 -0.252639D+00  0.638961D+01 -0.429326D+02  0.983921D+01
      5   0.110577D+02  0.460467D+01 -0.406340D+01  0.958715D+01  0.913253D+01
      6   0.286047D+01  0.412900D+01 -0.146547D+01  0.257632D+01 -0.178256D+01
               111           112           113           114           115 
      1   0.100483D+02 -0.354138D+02 -0.111060D+01  0.179247D+02  0.539684D+01
      2  -0.622880D+01  0.158106D+02 -0.262901D-01 -0.840822D+01 -0.222738D+01
      3  -0.381946D+01  0.196033D+02  0.113689D+01 -0.951651D+01 -0.316946D+01
      4   0.817214D+01 -0.310993D+02  0.293535D+02  0.109652D+02  0.116215D+02
      5  -0.946970D+01  0.132382D+02  0.102939D+02  0.778692D+02 -0.321891D+02
      6   0.200087D+01  0.170748D+01 -0.557569D+01 -0.217251D+02  0.145467D+02
               116           117           118           119           120 
      1   0.149708D+02 -0.330003D+01  0.362932D+02 -0.128045D+02 -0.175753D+01
      2  -0.782203D+01 -0.135772D+01 -0.124327D+02 -0.538924D+00  0.922337D+00
      3  -0.714878D+01  0.465775D+01 -0.238605D+02  0.133434D+02  0.835197D+00
      4   0.542017D+01  0.523461D+02 -0.314202D+02  0.263220D+02  0.246485D+00
      5   0.556777D+02 -0.160448D+02 -0.298096D+00 -0.936648D+00  0.327185D+01
      6  -0.171930D+02 -0.179041D+00  0.447262D+00  0.569431D-01 -0.188657D+01
               121           122           123           124           125 
      1  -0.179323D+02  0.534386D+01  0.668168D-01 -0.235949D+01  0.481923D+00
      2  -0.292529D+01  0.152579D+02  0.213487D-01  0.213562D+01 -0.114220D+01
      3   0.208576D+02 -0.206017D+02 -0.881655D-01  0.223868D+00  0.660279D+00
      4   0.389591D+02 -0.443955D+02  0.777319D+00 -0.943521D+00  0.175711D+01
      5  -0.263980D+01  0.297050D+01 -0.552288D+01 -0.197021D+01 -0.693562D+00
      6   0.132756D+01 -0.128299D+01  0.483853D+01  0.131638D+01  0.118320D+01
               126           127           128           129           130 
      1  -0.158036D+01  0.263978D+01  0.763983D+01 -0.476593D+00  0.604289D+01
      2   0.138956D+01  0.417599D+01  0.183319D+01 -0.314589D-01  0.746272D+01
      3   0.190799D+00 -0.681577D+01 -0.947302D+01  0.508052D+00 -0.135056D+02
      4  -0.137103D+01  0.234747D+02  0.236847D+02 -0.370524D+01  0.312950D+02
      5   0.616513D+00 -0.209929D+01 -0.264539D+01  0.419028D+01 -0.300985D+01
      6  -0.548348D+00 -0.163887D+01 -0.198476D+01  0.250069D+01 -0.258249D+01
               131           132           133           134           135 
      1  -0.119677D+02  0.148179D+01 -0.595048D+00  0.366278D+00 -0.104448D+01
      2   0.292703D+02 -0.227468D+01 -0.539916D+00 -0.245454D+01  0.228200D+01
      3  -0.173027D+02  0.792891D+00  0.113496D+01  0.208826D+01 -0.123752D+01
      4   0.549978D+02 -0.673929D+01 -0.488861D+01 -0.755596D+01  0.249930D+01
      5  -0.421956D+01  0.700490D+01  0.273891D+01  0.860750D+00 -0.147231D+01
      6  -0.554443D+01  0.720886D+01  0.281749D+01  0.303294D+01 -0.186683D+01
               136           137           138           139           140 
      1  -0.663382D+01 -0.158423D+02  0.253886D+01 -0.740768D+01 -0.476318D+02
      2   0.704838D+01  0.153209D+02 -0.174278D+01  0.706377D+01  0.570396D+02
      3  -0.414558D+00  0.521356D+00 -0.796073D+00  0.343909D+00 -0.940780D+01
      4  -0.488580D+00  0.490764D+01 -0.607511D-01  0.287317D+01 -0.133799D+02
      5   0.477360D+00  0.434723D+00  0.962271D+00  0.104744D+00  0.388563D+01
      6  -0.135453D+01 -0.293499D+01  0.227952D+01 -0.941507D+00 -0.919890D+01
               141           142           143           144           145 
      1   0.568872D+01  0.149413D+01  0.659673D+01 -0.215004D+01 -0.590599D+01
      2  -0.495984D+01 -0.118734D+01 -0.680658D+01  0.215996D+01  0.944026D+01
      3  -0.728875D+00 -0.306793D+00  0.209850D+00 -0.992050D-02 -0.353427D+01
      4   0.184076D+01  0.145936D+00  0.118429D+01  0.152364D+01  0.792411D+01
      5  -0.229636D+01  0.160539D+01  0.426395D+00 -0.272098D+00  0.209292D+00
      6   0.805743D+01  0.307988D+00  0.327629D+01 -0.169926D+01 -0.994273D+00
               146           147           148           149           150 
      1  -0.113131D+02  0.200215D+01 -0.781473D+01 -0.536104D+02  0.562645D+01
      2   0.171547D+02 -0.204359D+01  0.108475D+02  0.756902D+02 -0.649896D+01
      3  -0.584160D+01  0.414338D-01 -0.303275D+01 -0.220798D+02  0.872509D+00
      4   0.164434D+02 -0.160699D+01  0.100666D+02  0.214215D+02 -0.177477D+01
      5  -0.930994D-01  0.228600D+01 -0.279269D+00  0.114976D+01  0.124052D+01
      6  -0.214353D+01  0.283299D+01 -0.818113D+00 -0.586597D+01  0.919498D+01
               151           152           153           154           155 
      1   0.103339D+01  0.711202D+01 -0.203290D+01  0.273354D+01  0.582025D+01
      2  -0.162566D+01 -0.912233D+01  0.245483D+01  0.977455D+01 -0.164460D+02
      3   0.592271D+00  0.201031D+01 -0.421932D+00 -0.125081D+02  0.106258D+02
      4  -0.124657D+01 -0.363543D+01  0.183642D+01 -0.287593D+02  0.254022D+02
      5  -0.174144D+00  0.187567D+01 -0.907950D+00 -0.168264D+01  0.410589D+00
      6  -0.513802D+00  0.343975D+01 -0.178886D+01  0.256717D+01 -0.226297D+01
               156           157           158           159           160 
      1   0.931347D-01  0.965299D+01 -0.204226D+02 -0.179575D+00 -0.206401D+01
      2   0.421765D-01 -0.223827D+02  0.373198D+02  0.111833D+00  0.211396D+01
      3  -0.135311D+00  0.127297D+02 -0.168972D+02  0.677425D-01 -0.499551D-01
      4   0.636935D+00  0.286312D+02 -0.348123D+02  0.115473D+00 -0.322500D+00
      5   0.372922D+01 -0.648692D+00  0.251588D+00 -0.398534D+01 -0.130043D+00
      6  -0.368289D+01 -0.107288D+01  0.236124D+01  0.606172D+01  0.165523D+01
               161           162           163           164           165 
      1   0.155812D+01 -0.309265D+00  0.415286D+01  0.141392D+00 -0.726857D-03
      2  -0.206123D+01  0.137830D+01 -0.187631D+01  0.611877D+00  0.496447D+00
      3   0.503109D+00 -0.106903D+01 -0.227655D+01 -0.753269D+00 -0.495720D+00
      4   0.109222D+01 -0.187977D+01  0.653351D+01  0.785551D+01 -0.100798D+01
      5  -0.177191D+01  0.635651D+00 -0.159823D+01 -0.147905D+01  0.274672D+01
      6   0.243103D+01 -0.818617D+00 -0.140261D+01 -0.127187D+01  0.116186D+01
               166           167           168           169           170 
      1  -0.313649D+01 -0.169449D+02  0.296893D+01  0.122498D+01  0.139113D+01
      2   0.494281D+01  0.197685D+02 -0.130141D+01 -0.609164D+00 -0.132991D+01
      3  -0.180632D+01 -0.282358D+01 -0.166752D+01 -0.615817D+00 -0.612208D-01
      4   0.120536D+02  0.166246D+02 -0.206493D+01 -0.906078D+00 -0.155105D+01
      5  -0.201585D+01 -0.161708D+01  0.377083D+01  0.346641D+01  0.591089D+00
      6  -0.288787D+01 -0.631069D+01  0.572583D+01  0.235001D+01  0.272448D+01
               171           172           173           174           175 
      1  -0.188156D+01  0.150507D+02 -0.128419D+02 -0.765842D+00 -0.195322D+02
      2   0.196809D+01 -0.250169D+01  0.346344D+01  0.993159D+00  0.597604D+01
      3  -0.865294D-01 -0.125490D+02  0.937844D+01 -0.227316D+00  0.135562D+02
      4   0.197536D+01 -0.224424D+02  0.197824D+02  0.252077D+01  0.254265D+02
      5   0.902317D-01 -0.398158D+01  0.335034D+01  0.859641D+01  0.645668D+01
      6  -0.105044D+01  0.371392D+01 -0.274181D+01 -0.518399D+00 -0.402259D+01
               176           177           178           179           180 
      1   0.538504D+01  0.372783D+00 -0.856413D-01  0.102726D+01  0.268239D+01
      2   0.997779D+01  0.488662D-01  0.114489D+01 -0.127246D+01 -0.139854D+01
      3  -0.153628D+02 -0.421649D+00 -0.105924D+01  0.245203D+00 -0.128385D+01
      4  -0.417030D+02 -0.375928D+01  0.345272D+01 -0.276533D+01 -0.476841D+01
      5  -0.471434D+01 -0.894522D+01  0.108220D+02 -0.426806D+01 -0.347560D+01
      6   0.832326D+01  0.424203D+01 -0.221164D+01  0.596611D+01  0.193650D+01
               181           182           183           184           185 
      1  -0.838714D+02 -0.147300D+02  0.307475D+02 -0.899261D+01  0.222151D+02
      2   0.451550D+02  0.138048D+02 -0.463874D+01  0.370432D+01 -0.157098D+02
      3   0.387163D+02  0.925224D+00 -0.261088D+02  0.528828D+01 -0.650530D+01
      4  -0.165236D+02  0.135002D+02  0.591249D+01  0.186934D+02 -0.171483D+02
      5   0.409822D+02  0.768226D+01  0.127947D+02 -0.882353D+00 -0.436675D+01
      6   0.400739D+01 -0.822061D+01 -0.358157D+00 -0.907087D+01  0.105099D+02
               186           187           188           189           190 
      1   0.173356D+02  0.110656D+02  0.124298D+02  0.230856D+02 -0.185611D+02
      2   0.859655D+01  0.700617D+01  0.427551D+01 -0.435667D+00  0.210709D+02
      3  -0.259321D+02 -0.180718D+02 -0.167053D+02 -0.226500D+02 -0.250982D+01
      4   0.172348D+01 -0.541769D+01  0.143032D+01  0.259776D+02  0.149116D+02
      5   0.308308D+02  0.281622D+02  0.198159D+02 -0.442329D+01 -0.332398D+02
      6   0.237442D+01  0.663792D+01  0.200235D+01 -0.173741D+02  0.460390D+01
               191           192           193           194           195 
      1   0.563662D+01 -0.123782D+02  0.268683D+02  0.408694D+01  0.155887D+02
      2  -0.332413D+01  0.180842D+02 -0.314092D+02 -0.111482D+02 -0.199338D+02
      3  -0.231249D+01 -0.570604D+01  0.454081D+01  0.706129D+01  0.434514D+01
      4  -0.249609D+01  0.772754D+01  0.484510D+01 -0.607679D+01  0.426273D+01
      5   0.810742D+01 -0.164030D+02  0.302984D+02  0.188325D+01  0.457639D+02
      6  -0.639079D+01  0.569366D+01  0.400190D+01  0.215887D+01  0.131980D+01
               196           197           198           199           200 
      1  -0.331927D+02  0.120173D+02 -0.733762D+01  0.195310D+03  0.226311D+02
      2   0.256825D+02 -0.109150D+02  0.184890D+02 -0.104181D+03 -0.128381D+02
      3   0.751018D+01 -0.110234D+01 -0.111514D+02 -0.911285D+02 -0.979302D+01
      4   0.210701D+02 -0.246404D+02  0.253719D+02  0.220941D+02  0.166882D+02
      5  -0.161308D+02  0.234991D+02 -0.218236D+02 -0.207808D+02 -0.256505D+01
      6   0.107165D+02 -0.707962D+01  0.115713D+02 -0.221566D+00 -0.693993D+00
               201           202           203           204           205 
      1  -0.163423D+02  0.659939D+02  0.202929D+02 -0.600806D+01 -0.207921D+02
      2   0.993556D+01 -0.356189D+02 -0.102527D+02  0.378625D+01  0.126868D+02
      3   0.640677D+01 -0.303750D+02 -0.100401D+02  0.222181D+01  0.810529D+01
      4  -0.221988D+01  0.252262D+02  0.167702D+02 -0.362074D+01 -0.273176D+01
      5   0.198553D+02 -0.717817D+01 -0.375848D+01  0.558812D+01  0.250523D+02
      6  -0.590271D+00 -0.113011D+01 -0.628146D+00  0.179984D+01 -0.153947D+00
               206           207           208           209           210 
      1  -0.321390D+01  0.165784D+02  0.281439D+00 -0.378505D+01 -0.114603D+02
      2   0.208486D+01 -0.100580D+02 -0.407565D+00  0.198538D+01  0.475532D+01
      3   0.112905D+01 -0.652038D+01  0.126127D+00  0.179966D+01  0.670503D+01
      4  -0.344311D+01 -0.141182D+01 -0.359350D+00 -0.186050D+01  0.103384D+01
      5  -0.160791D+01 -0.575579D+01 -0.866522D+01  0.283225D+00 -0.324872D+01
      6   0.288039D+01 -0.467313D-01  0.190531D+01  0.120217D+01  0.233657D+01
               211           212           213           214           215 
      1  -0.186023D+02  0.248822D+01  0.563311D+00 -0.317643D+02  0.131288D+01
      2   0.802550D+01  0.508659D+01  0.973643D+00  0.177498D+02  0.115481D+00
      3   0.105768D+02 -0.757481D+01 -0.153695D+01  0.140145D+02 -0.142836D+01
      4   0.300376D+02 -0.425974D+02 -0.286019D+02  0.212260D+02 -0.301998D+02
      5   0.183171D+02 -0.288710D+02 -0.371160D+02  0.340589D+02 -0.351820D+02
      6  -0.832123D+01  0.139042D+02  0.145930D+02 -0.112531D+02  0.149681D+02
               216           217           218           219           220 
      1   0.223009D+01  0.150546D+02 -0.422856D+01  0.124916D+02 -0.185291D+02
      2  -0.749460D+01 -0.767195D+01  0.159761D+01 -0.559874D+01  0.745895D+01
      3   0.526451D+01 -0.738261D+01  0.263096D+01 -0.689284D+01  0.110701D+02
      4  -0.331467D+02 -0.449841D+01  0.250760D+01 -0.693461D+01  0.277566D+02
      5  -0.471397D+02  0.147885D+02 -0.643744D+01  0.424307D+01 -0.195698D+02
      6   0.157678D+02 -0.334639D+01  0.125626D+01  0.274066D+00  0.537481D+01
               221           222           223           224           225 
      1   0.885472D+01 -0.906097D+01  0.491336D+02 -0.125164D+02  0.136316D+02
      2   0.233497D+00  0.199613D+01 -0.269579D+02  0.442222D+01 -0.117495D+02
      3  -0.908821D+01  0.706483D+01 -0.221757D+02  0.809417D+01 -0.188204D+01
      4  -0.294802D+02  0.196365D+02 -0.277495D+02  0.266045D+02 -0.303961D+02
      5   0.208179D+02 -0.318418D+02  0.436419D+02 -0.334095D+02  0.616535D+02
      6  -0.675876D+01  0.105370D+02 -0.110584D+02  0.112936D+02 -0.132196D+02
               226           227           228           229           230 
      1  -0.686641D+00 -0.340332D+01 -0.188433D+02 -0.657121D+01 -0.104519D+02
      2  -0.291158D+01 -0.681119D+00 -0.160858D+01  0.474383D+01  0.937292D+00
      3   0.359822D+01  0.408444D+01  0.204518D+02  0.182739D+01  0.951465D+01
      4  -0.188618D+01 -0.392165D+01 -0.283970D+01 -0.153789D+01 -0.732916D+01
      5  -0.441327D+01 -0.645957D+00 -0.829961D+01  0.623174D+01 -0.759102D+01
      6   0.143070D+01  0.362148D+01  0.158858D+01  0.584012D+00  0.654110D+01
               231           232           233           234           235 
      1  -0.137781D+02 -0.116588D+02 -0.848960D+01 -0.355559D+02  0.431645D+00
      2  -0.746859D+01  0.540393D+01 -0.383578D+01 -0.194865D+02  0.213450D+01
      3   0.212467D+02  0.625484D+01  0.123254D+02  0.550425D+02 -0.256615D+01
      4  -0.104189D+02 -0.134957D+01 -0.907110D+01 -0.124192D+02  0.331807D+01
      5  -0.232594D+02  0.853615D+01 -0.910211D+01 -0.451645D+02  0.749495D+00
      6   0.945143D+01  0.743869D+00  0.868016D+01  0.750724D+01 -0.213699D+01
               236           237           238           239           240 
      1   0.991271D+01 -0.603772D+01  0.135169D+02 -0.203115D+02  0.441875D+01
      2  -0.766640D+01 -0.317260D+00 -0.831231D+01  0.219119D+02 -0.137192D+00
      3  -0.224631D+01  0.635498D+01 -0.520463D+01 -0.160038D+01 -0.428156D+01
      4  -0.640064D+01  0.148323D+01  0.432127D+01  0.331499D+02 -0.766352D+01
      5  -0.867459D+00 -0.524426D+01 -0.942127D+01 -0.360518D+01  0.101423D+02
      6   0.594146D+01 -0.280592D+01  0.113365D+00 -0.218051D+02  0.911002D+01
               241           242           243           244           245 
      1   0.548621D+00  0.207350D+01 -0.737231D+01  0.117337D+03  0.106043D+02
      2  -0.172157D+01 -0.843755D+00  0.241324D+01 -0.685451D+02 -0.522842D+01
      3   0.117295D+01 -0.122975D+01  0.495907D+01 -0.487924D+02 -0.537592D+01
      4   0.132724D+01 -0.151179D+01  0.137361D+01  0.256549D+02  0.155852D+02
      5  -0.211089D+01  0.137944D+01  0.974155D+00 -0.678002D+02 -0.808431D+01
      6  -0.887525D+00  0.501988D+01 -0.961411D+00 -0.643943D+01 -0.552178D+01
               246           247           248           249           250 
      1  -0.232287D+02  0.790691D+01  0.745296D+01 -0.260326D+01 -0.742703D+01
      2   0.203665D+02 -0.366828D+01 -0.282409D+01  0.331111D+00  0.896757D+01
      3   0.286218D+01 -0.423863D+01 -0.462886D+01  0.227215D+01 -0.154054D+01
      4  -0.691201D+01  0.161520D+02  0.668123D+01 -0.474393D+01 -0.172932D+01
      5   0.326814D+02 -0.483855D+01 -0.624742D+01  0.261754D+00  0.202322D+02
      6   0.398417D+01 -0.499942D+01 -0.290479D+01  0.317701D+01  0.254028D+01
               251           252           253           254           255 
      1  -0.155819D+01  0.801650D+01  0.732896D+02 -0.229105D+02  0.325545D+02
      2   0.211200D+00 -0.948699D+01 -0.479137D+02  0.126528D+02 -0.247347D+02
      3   0.134700D+01  0.147049D+01 -0.253759D+02  0.102577D+02 -0.781981D+01
      4  -0.196630D+01  0.487510D+00 -0.267249D+02  0.222533D+02 -0.731175D+01
      5   0.112786D+01 -0.120352D+02  0.559172D+02 -0.115598D+02  0.391922D+02
      6   0.186947D+01 -0.355129D+00 -0.760751D+01  0.763528D+01 -0.401031D+01
               256           257           258           259           260 
      1  -0.383750D+02  0.111944D+02 -0.851618D+01  0.427402D+02 -0.587171D+01
      2   0.282467D+02 -0.571958D+01  0.154717D+02 -0.393013D+02  0.101453D+02
      3   0.101283D+02 -0.547477D+01 -0.695548D+01 -0.343891D+01 -0.427362D+01
      4   0.243150D+02 -0.355246D+02  0.202778D+02 -0.154036D+02  0.299598D+02
      5  -0.312084D+02  0.206067D+02 -0.358039D+02  0.651602D+02 -0.242760D+02
      6   0.934247D+01 -0.143111D+02  0.130440D+02 -0.524486D+01  0.169993D+02
               261           262           263           264           265 
      1   0.130657D+02 -0.269546D+01  0.131478D+02  0.142421D+01  0.996636D+01
      2  -0.401652D+02  0.517903D+01 -0.609957D+01 -0.253961D+00  0.338864D+00
      3   0.270995D+02 -0.248357D+01 -0.704823D+01 -0.117025D+01 -0.103052D+02
      4  -0.234133D+02  0.182893D+01 -0.128925D+01 -0.117975D+02  0.122445D+02
      5   0.733762D+02 -0.882306D+01 -0.763909D+01 -0.998873D+01 -0.121666D+02
      6  -0.126073D+02 -0.240730D+01 -0.596961D+01 -0.869634D+01 -0.591145D+01
               266           267           268           269           270 
      1  -0.113112D+02 -0.631141D+01 -0.822877D+01 -0.655388D+01 -0.776507D+01
      2   0.307390D+02  0.589777D+01  0.426341D+01  0.220999D+01  0.668313D+01
      3  -0.194278D+02  0.413633D+00  0.396536D+01  0.434389D+01  0.108194D+01
      4   0.317718D+02 -0.130455D+02 -0.239937D+02 -0.237104D+02 -0.186914D+02
      5  -0.128355D+02 -0.143704D+02 -0.202543D+02 -0.170265D+02 -0.373599D+02
      6   0.376042D+01 -0.101423D+01 -0.135512D+02 -0.690786D+01 -0.173533D+02
               271           272           273           274           275 
      1   0.964769D+01  0.711773D+01  0.753248D+01  0.448177D+01 -0.278559D+01
      2  -0.465681D+01 -0.307479D+01 -0.473022D+01  0.177874D+00  0.632044D+01
      3  -0.499088D+01 -0.404294D+01 -0.280226D+01 -0.465965D+01 -0.353485D+01
      4   0.177281D+02  0.159506D+02  0.131840D+02  0.141712D+02  0.233344D+02
      5   0.154622D+02  0.117931D+02  0.164909D+02  0.927342D+01  0.122833D+02
      6   0.876455D+01  0.670690D+01  0.755693D+01  0.660368D+01  0.119257D+02
               276           277           278           279 
      1  -0.135957D+01  0.790970D+01 -0.197652D+01 -0.236998D+01
      2   0.238168D+01 -0.686650D+01  0.222611D+00 -0.672552D+01
      3  -0.102211D+01 -0.104319D+01  0.175391D+01  0.909550D+01
      4   0.133275D+02  0.236022D+02  0.306924D+02  0.306124D+02
      5   0.142213D+02  0.284803D+02  0.277510D+02  0.435537D+02
      6   0.103430D+02  0.147661D+02  0.200074D+02  0.246618D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Oct  7 18:52:41 2021, MaxMem=  8589934592 cpu:          105938.3 elap:           13246.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94245 -18.92943 -18.88512 -10.13998 -10.07597
 Alpha  occ. eigenvalues --  -10.06373 -10.03596 -10.02730 -10.02648 -10.02231
 Alpha  occ. eigenvalues --  -10.02166 -10.02043 -10.01549 -10.01488 -10.01404
 Alpha  occ. eigenvalues --  -10.00862 -10.00821  -1.16092  -1.12352  -1.07103
 Alpha  occ. eigenvalues --   -0.94442  -0.90497  -0.86558  -0.84423  -0.80908
 Alpha  occ. eigenvalues --   -0.80229  -0.76061  -0.73832  -0.71011  -0.68540
 Alpha  occ. eigenvalues --   -0.67551  -0.65617  -0.61179  -0.59407  -0.59013
 Alpha  occ. eigenvalues --   -0.56278  -0.55118  -0.54879  -0.54489  -0.53709
 Alpha  occ. eigenvalues --   -0.52113  -0.51649  -0.50474  -0.49176  -0.48940
 Alpha  occ. eigenvalues --   -0.48327  -0.47805  -0.46578  -0.45640  -0.45102
 Alpha  occ. eigenvalues --   -0.43634  -0.43130  -0.41562  -0.41160  -0.39883
 Alpha  occ. eigenvalues --   -0.39275  -0.39104  -0.36729  -0.34535  -0.31561
 Alpha  occ. eigenvalues --   -0.28048
 Alpha virt. eigenvalues --    0.00361   0.02459   0.02934   0.03310   0.03524
 Alpha virt. eigenvalues --    0.04107   0.04243   0.04830   0.05374   0.05905
 Alpha virt. eigenvalues --    0.06073   0.06344   0.06573   0.07052   0.07592
 Alpha virt. eigenvalues --    0.08414   0.08467   0.09201   0.09915   0.10222
 Alpha virt. eigenvalues --    0.10878   0.11141   0.11305   0.11728   0.12403
 Alpha virt. eigenvalues --    0.12499   0.12898   0.13052   0.13430   0.13615
 Alpha virt. eigenvalues --    0.13813   0.14173   0.14303   0.14917   0.15074
 Alpha virt. eigenvalues --    0.15546   0.15836   0.16028   0.16750   0.16876
 Alpha virt. eigenvalues --    0.17048   0.17457   0.17711   0.17994   0.18175
 Alpha virt. eigenvalues --    0.18468   0.18939   0.19553   0.19655   0.19832
 Alpha virt. eigenvalues --    0.20629   0.21089   0.21413   0.21810   0.21950
 Alpha virt. eigenvalues --    0.22273   0.22581   0.23422   0.23873   0.24144
 Alpha virt. eigenvalues --    0.24404   0.25000   0.25321   0.25533   0.25970
 Alpha virt. eigenvalues --    0.26452   0.26541   0.27368   0.27593   0.27681
 Alpha virt. eigenvalues --    0.27979   0.28355   0.28482   0.29229   0.29240
 Alpha virt. eigenvalues --    0.29897   0.30117   0.30675   0.30868   0.31374
 Alpha virt. eigenvalues --    0.31586   0.31714   0.31883   0.32098   0.32731
 Alpha virt. eigenvalues --    0.33270   0.33834   0.33989   0.34343   0.34531
 Alpha virt. eigenvalues --    0.34653   0.35214   0.35339   0.35627   0.36008
 Alpha virt. eigenvalues --    0.36262   0.36568   0.37398   0.37700   0.38129
 Alpha virt. eigenvalues --    0.38465   0.38786   0.39419   0.39624   0.39902
 Alpha virt. eigenvalues --    0.40279   0.40709   0.41263   0.41532   0.41885
 Alpha virt. eigenvalues --    0.42320   0.42622   0.42989   0.43227   0.43480
 Alpha virt. eigenvalues --    0.43769   0.44907   0.45053   0.45498   0.45878
 Alpha virt. eigenvalues --    0.46438   0.47088   0.47687   0.47981   0.48479
 Alpha virt. eigenvalues --    0.49266   0.49859   0.50110   0.50924   0.51427
 Alpha virt. eigenvalues --    0.51563   0.52361   0.52738   0.53178   0.53641
 Alpha virt. eigenvalues --    0.53885   0.54926   0.55464   0.55511   0.55773
 Alpha virt. eigenvalues --    0.56393   0.56519   0.57071   0.57795   0.58119
 Alpha virt. eigenvalues --    0.58320   0.58620   0.59118   0.59919   0.60076
 Alpha virt. eigenvalues --    0.60517   0.61200   0.61371   0.62141   0.62611
 Alpha virt. eigenvalues --    0.63000   0.63146   0.63649   0.64025   0.64441
 Alpha virt. eigenvalues --    0.64930   0.65518   0.65811   0.66019   0.66159
 Alpha virt. eigenvalues --    0.66962   0.67130   0.67627   0.68228   0.68917
 Alpha virt. eigenvalues --    0.69145   0.69543   0.70011   0.70308   0.70544
 Alpha virt. eigenvalues --    0.71366   0.71517   0.72160   0.72616   0.72804
 Alpha virt. eigenvalues --    0.72882   0.73651   0.73913   0.74025   0.74642
 Alpha virt. eigenvalues --    0.74907   0.75136   0.76304   0.76721   0.77138
 Alpha virt. eigenvalues --    0.77554   0.78079   0.79922   0.80095   0.80193
 Alpha virt. eigenvalues --    0.80899   0.80980   0.81502   0.81915   0.82223
 Alpha virt. eigenvalues --    0.82485   0.82686   0.82961   0.83540   0.84436
 Alpha virt. eigenvalues --    0.84928   0.85347   0.85712   0.85970   0.86838
 Alpha virt. eigenvalues --    0.86948   0.87444   0.88390   0.88787   0.90037
 Alpha virt. eigenvalues --    0.90299   0.91226   0.91437   0.92692   0.93020
 Alpha virt. eigenvalues --    0.94080   0.94647   0.95044   0.95836   0.96573
 Alpha virt. eigenvalues --    0.97544   0.98046   0.98781   0.99326   1.00532
 Alpha virt. eigenvalues --    1.00774   1.02555   1.03669   1.03848   1.04806
 Alpha virt. eigenvalues --    1.05568   1.06320   1.07245   1.07536   1.09770
 Alpha virt. eigenvalues --    1.10240   1.11931   1.13323   1.13622   1.14381
 Alpha virt. eigenvalues --    1.15599   1.16215   1.16528   1.17121   1.18328
 Alpha virt. eigenvalues --    1.19068   1.19472   1.21140   1.21536   1.23374
 Alpha virt. eigenvalues --    1.24126   1.24466   1.25597   1.26051   1.27153
 Alpha virt. eigenvalues --    1.27820   1.29754   1.31663   1.32167   1.33289
 Alpha virt. eigenvalues --    1.33587   1.35301   1.35897   1.36747   1.37196
 Alpha virt. eigenvalues --    1.39044   1.39450   1.39685   1.40310   1.40487
 Alpha virt. eigenvalues --    1.41419   1.43488   1.44146   1.44913   1.46047
 Alpha virt. eigenvalues --    1.46377   1.48097   1.48961   1.50367   1.50634
 Alpha virt. eigenvalues --    1.51003   1.51795   1.52791   1.52850   1.54317
 Alpha virt. eigenvalues --    1.54727   1.56125   1.56852   1.57793   1.57915
 Alpha virt. eigenvalues --    1.59308   1.59759   1.60043   1.60467   1.61271
 Alpha virt. eigenvalues --    1.61430   1.63105   1.63987   1.64295   1.64667
 Alpha virt. eigenvalues --    1.64992   1.66405   1.66906   1.68082   1.68719
 Alpha virt. eigenvalues --    1.69405   1.70219   1.70662   1.70997   1.71919
 Alpha virt. eigenvalues --    1.73302   1.73640   1.74160   1.74909   1.75476
 Alpha virt. eigenvalues --    1.76505   1.78064   1.78964   1.79302   1.80508
 Alpha virt. eigenvalues --    1.81412   1.81732   1.82595   1.84076   1.85355
 Alpha virt. eigenvalues --    1.86214   1.86817   1.87835   1.88882   1.89870
 Alpha virt. eigenvalues --    1.91384   1.91864   1.92629   1.93073   1.94110
 Alpha virt. eigenvalues --    1.95441   1.96105   1.96155   1.97228   1.98226
 Alpha virt. eigenvalues --    1.98713   1.98941   2.00383   2.00809   2.01731
 Alpha virt. eigenvalues --    2.02327   2.03309   2.03875   2.04984   2.05524
 Alpha virt. eigenvalues --    2.05669   2.06908   2.07760   2.08638   2.10358
 Alpha virt. eigenvalues --    2.10421   2.11328   2.11751   2.13375   2.13556
 Alpha virt. eigenvalues --    2.14702   2.15323   2.15881   2.16798   2.17548
 Alpha virt. eigenvalues --    2.17919   2.18035   2.19079   2.20666   2.22344
 Alpha virt. eigenvalues --    2.23733   2.24170   2.26423   2.26880   2.29112
 Alpha virt. eigenvalues --    2.30017   2.30301   2.30744   2.32179   2.34113
 Alpha virt. eigenvalues --    2.35409   2.36312   2.36467   2.37836   2.39062
 Alpha virt. eigenvalues --    2.41031   2.42798   2.44079   2.45128   2.46095
 Alpha virt. eigenvalues --    2.47005   2.48832   2.52667   2.54053   2.54624
 Alpha virt. eigenvalues --    2.56223   2.60089   2.61847   2.63796   2.64664
 Alpha virt. eigenvalues --    2.66361   2.66968   2.69818   2.71420   2.72313
 Alpha virt. eigenvalues --    2.74179   2.75671   2.77641   2.78675   2.80258
 Alpha virt. eigenvalues --    2.81815   2.85440   2.86675   2.89232   2.92094
 Alpha virt. eigenvalues --    2.96508   2.98310   3.00099   3.04971   3.08198
 Alpha virt. eigenvalues --    3.13472   3.21448   3.24364   3.26593   3.38274
 Alpha virt. eigenvalues --    3.40175   3.41332   3.42395   3.43726   3.43816
 Alpha virt. eigenvalues --    3.45988   3.47602   3.50536   3.51467   3.53963
 Alpha virt. eigenvalues --    3.55186   3.56819   3.58688   3.63562   3.65914
 Alpha virt. eigenvalues --    3.72787   3.78762   3.82736   3.87626   3.96085
 Alpha virt. eigenvalues --    4.08668   4.46896   4.68434
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   24.443110  -4.443120  -4.735317   0.118284 -10.532545   1.143492
     2  C   -4.443120  27.686098   1.619744 -11.843558   0.583974  -7.590736
     3  C   -4.735317   1.619744  43.200152  -6.573421  -7.216406 -11.549470
     4  C    0.118284 -11.843558  -6.573421  49.474242 -12.724532  -7.747510
     5  C  -10.532545   0.583974  -7.216406 -12.724532  47.867675  -8.978814
     6  C    1.143492  -7.590736 -11.549470  -7.747510  -8.978814  48.721238
     7  C   -0.403854  -0.473395  -4.458387  -9.410538   0.903697  -1.252082
     8  C    0.207728   0.356554  -0.043567   3.514660  -1.413125   0.155834
     9  C    0.191308   0.393465   0.006641   0.074747   0.629002  -3.907208
    10  C   -0.315465  -0.876683  -1.050918   0.545836  -6.868510  -0.173271
    11  C    0.078106   0.089845  -0.793851  -1.299106   1.075690   0.356581
    12  O   -1.445452   1.103623   0.238978  -0.283752   0.261287  -0.125294
    13  C    0.076387  -0.010062  -0.196572   0.043048  -0.074619   0.000928
    14  H    1.211320  -2.868855   0.102356   0.167553  -0.479502   0.620350
    15  H    0.760435  -0.334143  -3.544494   1.758564  -0.415966   0.234961
    16  H   -0.467863   2.013595   0.197793  -0.767955   1.963138  -4.094574
    17  H    0.230942   0.130907   1.140680   0.781867  -0.901494  -0.346681
    18  H    0.001478  -0.022179  -0.217622  -0.804652   0.204275   0.153358
    19  H    0.016925   0.193286  -0.082800  -0.702727   0.879275   0.520144
    20  H   -0.001089   0.007888  -0.036020  -0.083688  -0.081341   0.034654
    21  C    0.005741  -0.012773   0.020769   0.005951   0.037031  -0.103460
    22  C   -0.000314  -0.001063   0.021650   0.108289  -0.111264  -0.124284
    23  H    0.919266  -0.340946  -0.368064   0.181743   0.003388  -0.078732
    24  H   -0.422120   0.150904   0.157446  -0.096910  -0.014176   0.106000
    25  H   -0.432551   0.162261   0.153535  -0.100796  -0.011123   0.108585
    26  H    0.002517  -0.001493  -0.008963  -0.027821   0.025229   0.000779
    27  H   -0.004143   0.016332  -0.000996  -0.095423   0.119120  -0.027668
    28  H    0.000524  -0.003349   0.004588   0.062862  -0.082144  -0.006022
    29  O   -0.000471   0.000985   0.000087  -0.019316   0.026642   0.007592
    30  O   -0.000887  -0.004783   0.006490   0.003199  -0.026102  -0.013198
    31  H   -0.000346   0.001417   0.000353  -0.005277   0.001517  -0.002525
               7          8          9         10         11         12
     1  C   -0.403854   0.207728   0.191308  -0.315465   0.078106  -1.445452
     2  C   -0.473395   0.356554   0.393465  -0.876683   0.089845   1.103623
     3  C   -4.458387  -0.043567   0.006641  -1.050918  -0.793851   0.238978
     4  C   -9.410538   3.514660   0.074747   0.545836  -1.299106  -0.283752
     5  C    0.903697  -1.413125   0.629002  -6.868510   1.075690   0.261287
     6  C   -1.252082   0.155834  -3.907208  -0.173271   0.356581  -0.125294
     7  C   38.321591 -19.019626   6.029341  -5.175327   0.985141  -0.063490
     8  C  -19.019626  35.129713 -10.771409   1.917810  -2.474202  -0.048386
     9  C    6.029341 -10.771409  29.546236 -14.247774  -4.698433   0.019660
    10  C   -5.175327   1.917810 -14.247774  36.770332  -1.290744  -0.000662
    11  C    0.985141  -2.474202  -4.698433  -1.290744  17.623780  -0.000492
    12  O   -0.063490  -0.048386   0.019660  -0.000662  -0.000492   9.310122
    13  C    0.014272  -0.013149   0.023088  -0.020628   0.001974   0.135495
    14  H    0.032167   0.025527  -0.009039  -0.195560  -0.003586  -0.177166
    15  H    0.462494   0.143351   0.041472  -0.048305  -0.001891  -0.134152
    16  H   -0.061285  -0.000946   0.204807   0.091208   0.047851   0.005228
    17  H   -4.106915   2.629981  -0.598596   0.084594   0.003323  -0.008644
    18  H    2.412838  -4.214350   1.240199  -0.260463   0.226948   0.000154
    19  H   -0.210892   0.433442   0.889287  -3.980109  -0.102988  -0.001046
    20  H    0.099714  -0.078067   0.285142   0.095017  -1.663754  -0.000069
    21  C    0.135853  -0.279466  -0.047975  -0.422375   0.258692   0.000017
    22  C   -0.256369  -0.294013   0.361318  -0.733796  -2.102989  -0.000077
    23  H   -0.012034  -0.005443   0.004497  -0.000504   0.000190  -0.563965
    24  H    0.007481   0.001531  -0.001663   0.000010   0.000136   0.160437
    25  H    0.008211   0.001948  -0.002298  -0.000399   0.000030   0.159910
    26  H    0.027890  -0.028966  -0.552491   0.056823   0.495166   0.000001
    27  H    0.096870  -0.065628  -0.348477  -0.238322   0.298493   0.000122
    28  H   -0.051436  -0.010989   0.856661   0.076005  -0.717450  -0.000014
    29  O    0.036976  -0.007061   0.140248  -0.025232   0.076297   0.000000
    30  O    0.030440  -0.023437   0.203834   0.007113  -0.538558   0.000008
    31  H    0.004259   0.000609  -0.060793  -0.002224   0.216166   0.000008
              13         14         15         16         17         18
     1  C    0.076387   1.211320   0.760435  -0.467863   0.230942   0.001478
     2  C   -0.010062  -2.868855  -0.334143   2.013595   0.130907  -0.022179
     3  C   -0.196572   0.102356  -3.544494   0.197793   1.140680  -0.217622
     4  C    0.043048   0.167553   1.758564  -0.767955   0.781867  -0.804652
     5  C   -0.074619  -0.479502  -0.415966   1.963138  -0.901494   0.204275
     6  C    0.000928   0.620350   0.234961  -4.094574  -0.346681   0.153358
     7  C    0.014272   0.032167   0.462494  -0.061285  -4.106915   2.412838
     8  C   -0.013149   0.025527   0.143351  -0.000946   2.629981  -4.214350
     9  C    0.023088  -0.009039   0.041472   0.204807  -0.598596   1.240199
    10  C   -0.020628  -0.195560  -0.048305   0.091208   0.084594  -0.260463
    11  C    0.001974  -0.003586  -0.001891   0.047851   0.003323   0.226948
    12  O    0.135495  -0.177166  -0.134152   0.005228  -0.008644   0.000154
    13  C    4.243555  -0.074702   0.039864   0.018032  -0.000391  -0.000356
    14  H   -0.074702   4.351966  -0.042473  -0.395509   0.003068  -0.002140
    15  H    0.039864  -0.042473   3.226118   0.010986  -0.202274  -0.000398
    16  H    0.018032  -0.395509   0.010986   3.588891  -0.000347   0.006875
    17  H   -0.000391   0.003068  -0.202274  -0.000347   3.389948  -0.308436
    18  H   -0.000356  -0.002140  -0.000398   0.006875  -0.308436   3.736920
    19  H   -0.001468   0.033332   0.005132  -0.371546   0.009862  -0.061627
    20  H    0.000130  -0.000161   0.000413  -0.000834  -0.000196  -0.132621
    21  C    0.000131  -0.000697  -0.000393   0.000535   0.007391   0.052941
    22  C   -0.000011  -0.000814   0.000849   0.000770   0.009305   0.023209
    23  H    0.139711   0.042869  -0.019763  -0.001737   0.001842  -0.000163
    24  H    0.356396  -0.081342   0.012293   0.006035  -0.000870   0.000106
    25  H    0.357115  -0.081732   0.012426   0.006408  -0.000931   0.000114
    26  H    0.000038  -0.000258  -0.000202   0.003208   0.001335  -0.001628
    27  H    0.000042  -0.000782  -0.000319   0.007004   0.001258  -0.001234
    28  H   -0.000001   0.000049   0.000150  -0.000723  -0.000273   0.011748
    29  O    0.000000   0.000010   0.000141   0.000608  -0.000618   0.002319
    30  O    0.000002  -0.000262   0.000041   0.000831   0.000031   0.006892
    31  H    0.000002  -0.000085  -0.000001   0.000451   0.000194  -0.000751
              19         20         21         22         23         24
     1  C    0.016925  -0.001089   0.005741  -0.000314   0.919266  -0.422120
     2  C    0.193286   0.007888  -0.012773  -0.001063  -0.340946   0.150904
     3  C   -0.082800  -0.036020   0.020769   0.021650  -0.368064   0.157446
     4  C   -0.702727  -0.083688   0.005951   0.108289   0.181743  -0.096910
     5  C    0.879275  -0.081341   0.037031  -0.111264   0.003388  -0.014176
     6  C    0.520144   0.034654  -0.103460  -0.124284  -0.078732   0.106000
     7  C   -0.210892   0.099714   0.135853  -0.256369  -0.012034   0.007481
     8  C    0.433442  -0.078067  -0.279466  -0.294013  -0.005443   0.001531
     9  C    0.889287   0.285142  -0.047975   0.361318   0.004497  -0.001663
    10  C   -3.980109   0.095017  -0.422375  -0.733796  -0.000504   0.000010
    11  C   -0.102988  -1.663754   0.258692  -2.102989   0.000190   0.000136
    12  O   -0.001046  -0.000069   0.000017  -0.000077  -0.563965   0.160437
    13  C   -0.001468   0.000130   0.000131  -0.000011   0.139711   0.356396
    14  H    0.033332  -0.000161  -0.000697  -0.000814   0.042869  -0.081342
    15  H    0.005132   0.000413  -0.000393   0.000849  -0.019763   0.012293
    16  H   -0.371546  -0.000834   0.000535   0.000770  -0.001737   0.006035
    17  H    0.009862  -0.000196   0.007391   0.009305   0.001842  -0.000870
    18  H   -0.061627  -0.132621   0.052941   0.023209  -0.000163   0.000106
    19  H    4.704772  -0.009169   0.033636   0.092093  -0.000076  -0.000906
    20  H   -0.009169   2.693793   0.082445   0.216577   0.000014   0.000006
    21  C    0.033636   0.082445   4.618239   0.119844   0.000018   0.000014
    22  C    0.092093   0.216577   0.119844   8.330771  -0.000004   0.000045
    23  H   -0.000076   0.000014   0.000018  -0.000004   2.675597  -0.542992
    24  H   -0.000906   0.000006   0.000014   0.000045  -0.542992   1.429322
    25  H   -0.000808  -0.000001   0.000012   0.000027  -0.541641  -0.115097
    26  H   -0.031027  -0.020428   0.099963   0.048313   0.000000   0.000008
    27  H   -0.094789   0.082345   0.481916   0.001713   0.000002   0.000013
    28  H    0.030299  -0.002916  -0.097616  -0.013690   0.000000  -0.000000
    29  O   -0.004841   0.046841  -0.010796  -0.152238  -0.000000  -0.000000
    30  O   -0.025022   0.059809   0.083930   0.018415  -0.000001   0.000011
    31  H    0.002474   0.007411  -0.023982  -0.199246  -0.000001   0.000007
              25         26         27         28         29         30
     1  C   -0.432551   0.002517  -0.004143   0.000524  -0.000471  -0.000887
     2  C    0.162261  -0.001493   0.016332  -0.003349   0.000985  -0.004783
     3  C    0.153535  -0.008963  -0.000996   0.004588   0.000087   0.006490
     4  C   -0.100796  -0.027821  -0.095423   0.062862  -0.019316   0.003199
     5  C   -0.011123   0.025229   0.119120  -0.082144   0.026642  -0.026102
     6  C    0.108585   0.000779  -0.027668  -0.006022   0.007592  -0.013198
     7  C    0.008211   0.027890   0.096870  -0.051436   0.036976   0.030440
     8  C    0.001948  -0.028966  -0.065628  -0.010989  -0.007061  -0.023437
     9  C   -0.002298  -0.552491  -0.348477   0.856661   0.140248   0.203834
    10  C   -0.000399   0.056823  -0.238322   0.076005  -0.025232   0.007113
    11  C    0.000030   0.495166   0.298493  -0.717450   0.076297  -0.538558
    12  O    0.159910   0.000001   0.000122  -0.000014   0.000000   0.000008
    13  C    0.357115   0.000038   0.000042  -0.000001   0.000000   0.000002
    14  H   -0.081732  -0.000258  -0.000782   0.000049   0.000010  -0.000262
    15  H    0.012426  -0.000202  -0.000319   0.000150   0.000141   0.000041
    16  H    0.006408   0.003208   0.007004  -0.000723   0.000608   0.000831
    17  H   -0.000931   0.001335   0.001258  -0.000273  -0.000618   0.000031
    18  H    0.000114  -0.001628  -0.001234   0.011748   0.002319   0.006892
    19  H   -0.000808  -0.031027  -0.094789   0.030299  -0.004841  -0.025022
    20  H   -0.000001  -0.020428   0.082345  -0.002916   0.046841   0.059809
    21  C    0.000012   0.099963   0.481916  -0.097616  -0.010796   0.083930
    22  C    0.000027   0.048313   0.001713  -0.013690  -0.152238   0.018415
    23  H   -0.541641   0.000000   0.000002   0.000000  -0.000000  -0.000001
    24  H   -0.115097   0.000008   0.000013  -0.000000  -0.000000   0.000011
    25  H    1.428821   0.000011   0.000005   0.000002   0.000000   0.000003
    26  H    0.000011   1.712661  -0.252235  -0.367985  -0.003111   0.011313
    27  H    0.000005  -0.252235   1.573170  -0.422232   0.000588   0.033490
    28  H    0.000002  -0.367985  -0.422232   1.976019   0.006327   0.010173
    29  O    0.000000  -0.003111   0.000588   0.006327   8.437107  -0.025746
    30  O    0.000003   0.011313   0.033490   0.010173  -0.025746   8.369977
    31  H    0.000004   0.003481  -0.007931  -0.000487  -0.016499   0.285627
              31
     1  C   -0.000346
     2  C    0.001417
     3  C    0.000353
     4  C   -0.005277
     5  C    0.001517
     6  C   -0.002525
     7  C    0.004259
     8  C    0.000609
     9  C   -0.060793
    10  C   -0.002224
    11  C    0.216166
    12  O    0.000008
    13  C    0.000002
    14  H   -0.000085
    15  H   -0.000001
    16  H    0.000451
    17  H    0.000194
    18  H   -0.000751
    19  H    0.002474
    20  H    0.007411
    21  C   -0.023982
    22  C   -0.199246
    23  H   -0.000001
    24  H    0.000007
    25  H    0.000004
    26  H    0.003481
    27  H   -0.007931
    28  H   -0.000487
    29  O   -0.016499
    30  O    0.285627
    31  H    0.594034
 Mulliken charges:
               1
     1  C   -0.202025
     2  C    0.316255
     3  C    0.005604
     4  C    1.746139
     5  C    1.350722
     6  C   -0.042966
     7  C    1.346396
     8  C    0.273142
     9  C    0.105201
    10  C    2.282525
    11  C   -0.146366
    12  O   -0.542388
    13  C    0.941749
    14  H   -1.175901
    15  H   -0.964920
    16  H   -1.010933
    17  H   -0.949863
    18  H   -1.051755
    19  H   -1.162115
    20  H   -0.601847
    21  C    0.954464
    22  C    0.636982
    23  H   -0.493070
    24  H   -0.112123
    25  H   -0.112053
    26  H   -0.192129
    27  H   -0.152306
    28  H   -0.258082
    29  O   -0.516841
    30  O   -0.473631
    31  H    0.202136
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.202025
     2  C   -0.859646
     3  C   -0.959315
     4  C    1.746139
     5  C    1.350722
     6  C   -1.053900
     7  C    0.396533
     8  C   -0.778612
     9  C    0.105201
    10  C    1.120409
    11  C   -0.748213
    12  O   -0.542388
    13  C    0.224503
    21  C    0.351947
    22  C    0.636982
    29  O   -0.516841
    30  O   -0.271495
 Electronic spatial extent (au):  <R**2>=           5463.0043
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.9730    Y=             -2.3180    Z=              1.1937  Tot=              3.2696
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.9708   YY=            -91.6616   ZZ=           -104.3003
   XY=             -1.1023   XZ=             -6.7592   YZ=              3.8740
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              4.6734   YY=              3.9827   ZZ=             -8.6561
   XY=             -1.1023   XZ=             -6.7592   YZ=              3.8740
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            103.8672  YYY=             -2.8639  ZZZ=             -9.8958  XYY=             -3.7518
  XXY=            -63.1008  XXZ=             20.9942  XZZ=             -5.3744  YZZ=            -14.5369
  YYZ=             -9.6521  XYZ=            -19.9823
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5434.5085 YYYY=           -790.7871 ZZZZ=           -455.2505 XXXY=            -28.3154
 XXXZ=           -130.0129 YYYX=             32.6873 YYYZ=             11.3930 ZZZX=             18.8858
 ZZZY=             28.0991 XXYY=          -1067.1408 XXZZ=          -1095.4341 YYZZ=           -215.6669
 XXYZ=             92.7238 YYXZ=             32.6870 ZZXY=             48.3659
 N-N= 1.132708260200D+03 E-N=-4.052360590277D+03  KE= 7.621047532687D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Oct  7 18:52:43 2021, MaxMem=  8589934592 cpu:               5.1 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.85317116D-01-9.09046616D-01 4.60014775D-01
 Polarizability= 2.70359522D+02-1.56599650D+01 1.67802612D+02
                -7.41308291D+00-4.46928583D+00 1.13059248D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        4.1091    4.1092      -10.0440  -10.0452
 2     -4.1091   -4.1092        2.4322    2.4326      -59.6499  -59.6504
 3     10.0440   10.0452       90.3182   90.3194       -2.4326   -2.4326
 4     -2.4322   -2.4326       -0.0000    0.0000       10.0450   10.0452
 5    -30.6683  -30.6690      -10.0449  -10.0452        4.1088    4.1092
 6      2.4326    2.4326       -4.1088   -4.1092        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -12.3276  -12.3276      -30.1357  -30.1357
 2     -7.2977   -7.2977        0.0000    0.0000      -30.1357  -30.1357
 3     -7.2977   -7.2977      -12.3276  -12.3276       -0.0000    0.0000
 4    -12.3276  -12.3276        7.2977    7.2977     -178.9512 -178.9512
 5     30.1357   30.1357      270.9583  270.9583       -7.2977   -7.2977
 6    -92.0071  -92.0071      -30.1357  -30.1357       12.3276   12.3276
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0898    0.0000      -16.4391  -16.4367       39.9035   40.1810
 2     16.5525   16.4367       -9.7469   -9.7303      238.5474  238.6016
 3    -40.0923  -40.1810     -361.1687 -361.2777        9.5463    9.7303
 4      9.7445    9.7303        0.0039    0.0000      -40.2048  -40.1810
 5    122.7015  122.6761       40.2563   40.1810      -16.4952  -16.4367
 6     -9.6797   -9.7303       16.4738   16.4367       -0.1010    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0737    0.0000      114.2020  114.1136       65.3593   65.4199
 2   -114.0428 -114.1136      -67.8655  -67.9544       30.4408   30.4294
 3    -65.4065  -65.4199      -32.4306  -32.4896       68.0080   67.9544
 4     67.9332   67.9544        0.0170    0.0000      -65.3949  -65.4199
 5      2.1024    2.0601       65.3784   65.4199      114.2460  114.1136
 6    -67.9779  -67.9544     -114.1683 -114.1136       -0.0919    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     62.0600   62.1456       48.0378   47.9586      -32.4447  -32.4752
 2    177.2145  177.2927      138.3919  138.2944      -32.4314  -32.4752
 3    177.2280  177.2927       48.0769   47.9586     -103.9948 -103.9853
 4    -90.1797  -90.3359     -115.2475 -115.1470       17.5740   17.7293
 5    -71.4702  -71.5101      -20.7839  -20.8329      115.2557  115.1470
 6      3.2218    3.1037       71.3846   71.5101       90.2713   90.3359
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.6532   -2.7523    0.0003    0.0005    0.0006    1.6950
 Low frequencies ---   13.8199   39.0318   49.3098
 Diagonal vibrational polarizability:
       46.2960990      24.0401293      36.5759428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     13.7814                39.0304                49.3078
 Red. masses --      4.4733                 6.8440                 6.3200
 Frc consts  --      0.0005                 0.0061                 0.0091
 IR Inten    --      0.1492                 0.7172                 1.3348
 RamAct Fr= 1--      6.1769                 2.5306                 1.2029
  Dep-P Fr= 1--      0.7500                 0.7451                 0.7497
  Dep-U Fr= 1--      0.8571                 0.8539                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.8824                 0.3602                 0.1718
 AlphaG Fr= 1--      0.0004                 0.0018                -0.0010
 Gamma2 Fr= 1--     -0.8326                -2.5736                 2.6578
 Delta2 Fr= 1--     -0.6480                -0.9208                 0.4455
 Raman1 Fr= 1--      24.708                 10.122                  4.811
 ROA1   Fr= 1--    -100.663               -276.533                269.408
 CID1   Fr= 1--      -4.074                -27.319                 55.993
 Raman2 Fr= 1--      10.589                  4.322                  2.062
 ROA2   Fr= 1--     -14.798                -54.401                 60.224
 CID2   Fr= 1--      -1.398                -12.588                 29.212
 Raman3 Fr= 1--      21.178                  8.644                  4.123
 ROA3   Fr= 1--    -100.663               -276.533                269.408
 CID3   Fr= 1--      -4.753                -31.993                 65.340
 RC180  Fr= 1--       0.714                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.02    -0.03   0.01  -0.01    -0.01  -0.02   0.04
     2   6     0.03   0.01   0.14    -0.02   0.01   0.07    -0.02  -0.01   0.07
     3   6    -0.02  -0.02  -0.11    -0.03   0.01   0.01     0.01  -0.00   0.06
     4   6    -0.01  -0.03  -0.07    -0.03   0.01   0.08     0.01   0.02   0.09
     5   6     0.02  -0.02   0.09    -0.02   0.01   0.14    -0.00   0.03   0.10
     6   6     0.04   0.00   0.18    -0.01   0.02   0.15    -0.02   0.01   0.11
     7   6    -0.03  -0.05  -0.16    -0.03   0.01   0.07     0.02   0.02   0.07
     8   6    -0.03  -0.06  -0.11    -0.03   0.00   0.07     0.01   0.03   0.03
     9   6     0.00  -0.05   0.04    -0.02   0.01   0.10    -0.00   0.04   0.01
    10   6     0.02  -0.03   0.13    -0.02   0.01   0.15    -0.01   0.04   0.07
    11   6     0.01  -0.06   0.06    -0.03  -0.01   0.01    -0.01   0.04  -0.07
    12   8    -0.01   0.01  -0.07    -0.05  -0.00  -0.12    -0.01  -0.04  -0.03
    13   6     0.02   0.03   0.03    -0.06  -0.01  -0.28    -0.04  -0.07  -0.24
    14   1     0.05   0.03   0.21    -0.02   0.01   0.06    -0.03  -0.01   0.07
    15   1    -0.04  -0.02  -0.23    -0.04   0.00  -0.05     0.02  -0.01   0.03
    16   1     0.06   0.01   0.30    -0.01   0.02   0.20    -0.03   0.02   0.13
    17   1    -0.06  -0.05  -0.28    -0.04   0.00   0.03     0.03   0.02   0.07
    18   1    -0.04  -0.07  -0.18    -0.04  -0.00   0.04     0.02   0.04  -0.00
    19   1     0.05  -0.02   0.24    -0.01   0.01   0.18    -0.01   0.04   0.07
    20   1     0.01  -0.06   0.18    -0.05  -0.02  -0.03    -0.03   0.04  -0.13
    21   6     0.01  -0.19  -0.02    -0.12  -0.02  -0.03    -0.09   0.09  -0.06
    22   6    -0.01   0.09   0.00     0.12  -0.01  -0.07     0.02  -0.03  -0.05
    23   1     0.00   0.04  -0.04    -0.07  -0.02  -0.41    -0.05  -0.10  -0.35
    24   1     0.01  -0.06   0.11    -0.19   0.01  -0.27    -0.19  -0.00  -0.27
    25   1     0.04   0.14   0.08     0.07  -0.04  -0.29     0.08  -0.15  -0.28
    26   1     0.04  -0.30   0.03    -0.20  -0.01   0.00    -0.13   0.11  -0.05
    27   1    -0.03  -0.20  -0.15    -0.09  -0.01   0.01    -0.08   0.08  -0.00
    28   1     0.01  -0.16  -0.01    -0.12  -0.05  -0.12    -0.09   0.09  -0.12
    29   8    -0.05   0.18   0.09     0.40   0.03  -0.22    -0.26  -0.13   0.05
    30   8     0.01   0.10  -0.16    -0.06  -0.04   0.04     0.37   0.02  -0.14
    31   1     0.00   0.19  -0.18     0.09  -0.03  -0.02     0.33  -0.03  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --     74.5962               115.8049               139.2808
 Red. masses --      3.9686                 5.1213                 3.8393
 Frc consts  --      0.0130                 0.0405                 0.0439
 IR Inten    --      2.0603                 0.7265                 0.6041
 RamAct Fr= 1--      1.2926                 0.8139                 1.9959
  Dep-P Fr= 1--      0.7379                 0.5232                 0.6192
  Dep-U Fr= 1--      0.8492                 0.6870                 0.7648
 Alpha2 Fr= 1--      0.0003                 0.0036                 0.0048
 Beta2  Fr= 1--      0.1829                 0.0932                 0.2544
 AlphaG Fr= 1--      0.0062                -0.0318                 0.0181
 Gamma2 Fr= 1--     -0.8365                -1.3751                 2.7823
 Delta2 Fr= 1--      0.0657                -0.7459                 1.7846
 Raman1 Fr= 1--       5.170                  3.256                  7.984
 ROA1   Fr= 1--     -78.204               -155.879                324.210
 CID1   Fr= 1--     -15.125                -47.881                 40.608
 Raman2 Fr= 1--       2.195                  1.118                  3.053
 ROA2   Fr= 1--     -20.602                -27.035                 52.499
 CID2   Fr= 1--      -9.384                -24.177                 17.195
 Raman3 Fr= 1--       4.391                  2.236                  6.106
 ROA3   Fr= 1--     -78.204               -155.879                324.210
 CID3   Fr= 1--     -17.811                -69.698                 53.094
 RC180  Fr= 1--       0.698                  0.374                  0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.13    -0.05  -0.00   0.04    -0.01   0.01   0.01
     2   6    -0.04  -0.02  -0.11    -0.08  -0.00  -0.04    -0.04   0.04   0.08
     3   6    -0.03  -0.01  -0.09    -0.04   0.01  -0.06     0.03   0.06   0.04
     4   6    -0.02   0.01  -0.01    -0.05   0.03  -0.12     0.02   0.10   0.05
     5   6    -0.03   0.01   0.01    -0.06   0.04  -0.09     0.00   0.10   0.01
     6   6    -0.04  -0.00  -0.04    -0.09   0.02  -0.11    -0.04   0.08   0.07
     7   6    -0.01   0.02   0.06    -0.05   0.03  -0.16     0.01   0.10   0.07
     8   6    -0.01   0.03   0.11    -0.05   0.05  -0.07    -0.00   0.09   0.01
     9   6    -0.01   0.03   0.09    -0.03   0.06   0.04    -0.00   0.08  -0.07
    10   6    -0.02   0.02   0.06    -0.04   0.06  -0.01     0.01   0.09  -0.07
    11   6    -0.02   0.01   0.03    -0.01  -0.02   0.11     0.02  -0.04  -0.03
    12   8    -0.04  -0.04  -0.20    -0.02  -0.03   0.25    -0.00  -0.09  -0.12
    13   6    -0.01  -0.00   0.25    -0.10  -0.10  -0.03    -0.08  -0.16   0.03
    14   1    -0.05  -0.02  -0.15    -0.10  -0.01  -0.02    -0.06   0.02   0.11
    15   1    -0.02  -0.01  -0.10    -0.01   0.00  -0.03     0.07   0.04   0.02
    16   1    -0.05   0.00  -0.04    -0.12   0.03  -0.13    -0.08   0.10   0.10
    17   1    -0.01   0.02   0.06    -0.06   0.03  -0.22     0.01   0.11   0.12
    18   1    -0.00   0.03   0.14    -0.05   0.05  -0.08    -0.00   0.09   0.03
    19   1    -0.02   0.02   0.05    -0.03   0.06   0.03     0.02   0.09  -0.11
    20   1    -0.04   0.00   0.01    -0.07  -0.05   0.16    -0.07  -0.09   0.06
    21   6    -0.07   0.00   0.01     0.09  -0.12   0.07     0.21  -0.17  -0.05
    22   6     0.08  -0.00  -0.00     0.10  -0.00   0.06    -0.02  -0.05  -0.02
    23   1     0.00  -0.00   0.33    -0.07  -0.13   0.08    -0.05  -0.26  -0.09
    24   1     0.19  -0.22   0.40    -0.17   0.13  -0.22    -0.17  -0.29   0.16
    25   1    -0.19   0.24   0.39    -0.12  -0.35  -0.18    -0.09   0.01   0.13
    26   1    -0.13   0.01   0.03     0.09  -0.15   0.09     0.25  -0.20  -0.05
    27   1    -0.04   0.01   0.03     0.16  -0.09   0.00     0.31  -0.12  -0.16
    28   1    -0.07  -0.02  -0.05     0.10  -0.20   0.11     0.23  -0.30   0.05
    29   8     0.07  -0.03  -0.01     0.16   0.00   0.03    -0.03  -0.05  -0.01
    30   8     0.19   0.01  -0.02     0.21   0.01   0.02    -0.07  -0.06  -0.00
    31   1     0.25   0.00  -0.05     0.32   0.03  -0.04    -0.10  -0.05   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.3410               195.6067               231.0924
 Red. masses --      3.1684                 3.3765                 1.7281
 Frc consts  --      0.0621                 0.0761                 0.0544
 IR Inten    --      0.8368                 0.5546                 0.9944
 RamAct Fr= 1--      0.0722                 2.2133                 0.4409
  Dep-P Fr= 1--      0.7426                 0.6594                 0.2653
  Dep-U Fr= 1--      0.8523                 0.7948                 0.4193
 Alpha2 Fr= 1--      0.0000                 0.0036                 0.0050
 Beta2  Fr= 1--      0.0103                 0.2932                 0.0308
 AlphaG Fr= 1--      0.0008                -0.0149                 0.0011
 Gamma2 Fr= 1--      0.0127                -2.7091                 0.2312
 Delta2 Fr= 1--      0.0471                -1.5973                 0.0610
 Raman1 Fr= 1--       0.289                  8.853                  1.764
 ROA1   Fr= 1--       2.723               -311.191                 24.145
 CID1   Fr= 1--       9.429                -35.150                 13.691
 Raman2 Fr= 1--       0.123                  3.518                  0.370
 ROA2   Fr= 1--      -0.073                -52.241                  5.060
 CID2   Fr= 1--      -0.596                -14.849                 13.685
 Raman3 Fr= 1--       0.246                  7.036                  0.740
 ROA3   Fr= 1--       2.723               -311.191                 24.145
 CID3   Fr= 1--      11.063                -44.226                 32.651
 RC180  Fr= 1--       0.705                  0.590                 -0.161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.05  -0.03   0.05     0.02   0.07   0.01
     2   6     0.01   0.00   0.21    -0.04  -0.05  -0.00     0.03   0.06  -0.00
     3   6    -0.04  -0.04  -0.14    -0.04  -0.04   0.19     0.01   0.06   0.01
     4   6    -0.03  -0.04  -0.11    -0.04  -0.05   0.11     0.00   0.03  -0.00
     5   6    -0.03  -0.04  -0.14    -0.04  -0.06   0.02     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.05    -0.04  -0.06  -0.00     0.04   0.04  -0.03
     7   6     0.00  -0.01   0.06    -0.01  -0.03  -0.01    -0.03  -0.00  -0.00
     8   6     0.01   0.01   0.17    -0.02  -0.02  -0.14    -0.03  -0.05  -0.00
     9   6    -0.01  -0.01  -0.02    -0.02  -0.01  -0.10    -0.00  -0.06   0.00
    10   6    -0.04  -0.04  -0.20    -0.05  -0.03  -0.05     0.03  -0.04  -0.02
    11   6    -0.00   0.01   0.01     0.01   0.02   0.01    -0.00  -0.03   0.02
    12   8    -0.03   0.02   0.01    -0.09   0.02  -0.10     0.04  -0.00  -0.01
    13   6     0.01   0.05  -0.02     0.00   0.11  -0.01    -0.07  -0.11   0.02
    14   1     0.04   0.03   0.44    -0.03  -0.05  -0.07     0.03   0.07   0.01
    15   1    -0.05  -0.04  -0.20    -0.04  -0.03   0.24    -0.01   0.07   0.02
    16   1     0.01  -0.01   0.14    -0.04  -0.07  -0.05     0.06   0.03  -0.04
    17   1     0.02  -0.01   0.17     0.02  -0.05  -0.02    -0.08   0.01   0.00
    18   1     0.04   0.03   0.38    -0.03  -0.03  -0.24    -0.05  -0.07   0.00
    19   1    -0.06  -0.04  -0.30    -0.08  -0.02  -0.05     0.06  -0.05  -0.02
    20   1     0.01   0.02   0.00     0.01   0.02   0.02     0.04  -0.01  -0.02
    21   6     0.03   0.04   0.03     0.18   0.07   0.09    -0.06   0.05   0.05
    22   6     0.01   0.01   0.01     0.02   0.02   0.01     0.00  -0.02   0.01
    23   1    -0.04   0.06  -0.31    -0.05   0.17  -0.17    -0.04  -0.23  -0.12
    24   1    -0.15  -0.09   0.14     0.01  -0.04   0.12    -0.23  -0.17   0.11
    25   1     0.23   0.20   0.07     0.13   0.27   0.08    -0.05  -0.00   0.08
    26   1     0.06   0.06   0.01     0.48   0.02  -0.01     0.33  -0.14  -0.00
    27   1     0.03   0.04   0.04     0.03   0.01  -0.01    -0.48  -0.12  -0.08
    28   1     0.03   0.04   0.07     0.19   0.22   0.36    -0.08   0.50   0.27
    29   8     0.03   0.02  -0.00     0.07   0.04  -0.01     0.03   0.01   0.02
    30   8     0.05   0.02  -0.01     0.08   0.03  -0.02     0.00  -0.02  -0.04
    31   1     0.08   0.02  -0.02     0.16   0.04  -0.06     0.02   0.02  -0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    232.5516               248.2345               271.7265
 Red. masses --      1.3354                 1.7323                 2.5185
 Frc consts  --      0.0425                 0.0629                 0.1096
 IR Inten    --      0.2266                 0.2440                 0.8921
 RamAct Fr= 1--      1.2553                 0.9522                 1.2625
  Dep-P Fr= 1--      0.6570                 0.3266                 0.6954
  Dep-U Fr= 1--      0.7930                 0.4924                 0.8203
 Alpha2 Fr= 1--      0.0021                 0.0090                 0.0012
 Beta2  Fr= 1--      0.1659                 0.0781                 0.1726
 AlphaG Fr= 1--      0.0046                -0.0091                 0.0160
 Gamma2 Fr= 1--      1.0782                 0.0679                 0.7421
 Delta2 Fr= 1--      0.0912                 0.4339                 0.0337
 Raman1 Fr= 1--       5.021                  3.809                  5.050
 ROA1   Fr= 1--     106.423                 20.406                 72.315
 CID1   Fr= 1--      21.195                  5.358                 14.320
 Raman2 Fr= 1--       1.991                  0.938                  2.071
 ROA2   Fr= 1--      25.147                 -1.840                 17.540
 CID2   Fr= 1--      12.631                 -1.962                  8.468
 Raman3 Fr= 1--       3.982                  1.876                  4.142
 ROA3   Fr= 1--     106.423                 20.406                 72.315
 CID3   Fr= 1--      26.727                 10.880                 17.457
 RC180  Fr= 1--       0.586                 -0.015                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04    -0.01   0.04  -0.01     0.02   0.02   0.05
     2   6    -0.01  -0.02   0.00     0.01   0.03   0.02     0.03   0.03   0.09
     3   6    -0.02  -0.02  -0.08    -0.01   0.03  -0.00     0.02   0.02   0.11
     4   6    -0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00   0.02
     5   6    -0.01  -0.00   0.04     0.01  -0.01   0.01    -0.00  -0.01  -0.07
     6   6    -0.01  -0.01   0.05     0.02   0.01   0.03     0.02   0.01   0.02
     7   6     0.01   0.01   0.04    -0.03  -0.01   0.02    -0.01  -0.01  -0.03
     8   6     0.01   0.02   0.05    -0.02  -0.04   0.00    -0.01  -0.02  -0.05
     9   6     0.00   0.02  -0.01     0.00  -0.05  -0.02    -0.01  -0.02  -0.04
    10   6    -0.01   0.01   0.03     0.01  -0.04  -0.03    -0.01  -0.03  -0.14
    11   6     0.00   0.01  -0.02     0.01  -0.04  -0.01    -0.02   0.03   0.04
    12   8    -0.02   0.00   0.02    -0.00   0.01  -0.03     0.01  -0.01  -0.12
    13   6     0.01   0.03  -0.00    -0.07  -0.05   0.01    -0.01  -0.02  -0.01
    14   1    -0.01  -0.02  -0.00     0.02   0.04   0.01     0.03   0.03   0.11
    15   1    -0.01  -0.03  -0.11    -0.03   0.04  -0.01     0.01   0.03   0.13
    16   1    -0.01   0.00   0.09     0.04   0.01   0.05     0.03   0.00   0.03
    17   1     0.03   0.00   0.06    -0.05  -0.00   0.03    -0.02  -0.01  -0.03
    18   1     0.02   0.03   0.08    -0.04  -0.06   0.01    -0.01  -0.02  -0.05
    19   1    -0.02   0.02   0.03     0.03  -0.05  -0.05    -0.01  -0.04  -0.20
    20   1    -0.00   0.00  -0.02     0.02  -0.03  -0.06     0.02   0.04   0.09
    21   6     0.07   0.01  -0.00     0.06   0.10   0.09    -0.11  -0.07  -0.05
    22   6    -0.01  -0.01  -0.02     0.00  -0.03  -0.01     0.00   0.05   0.05
    23   1     0.04   0.10   0.41    -0.00  -0.09   0.33     0.05  -0.00   0.47
    24   1     0.26   0.25  -0.26     0.08   0.11  -0.16     0.28   0.17  -0.25
    25   1    -0.24  -0.24  -0.16    -0.32  -0.22  -0.09    -0.37  -0.25  -0.14
    26   1     0.41  -0.16  -0.06    -0.21   0.41   0.03    -0.15  -0.19   0.03
    27   1    -0.20  -0.10  -0.18     0.36   0.22   0.37    -0.15  -0.09  -0.14
    28   1     0.06   0.29   0.24     0.07  -0.20  -0.03    -0.12  -0.03  -0.14
    29   8    -0.01  -0.02  -0.03     0.03   0.04   0.03     0.01   0.00   0.01
    30   8    -0.01  -0.01  -0.02    -0.01  -0.02  -0.10     0.06   0.05   0.13
    31   1    -0.01  -0.01  -0.02    -0.02   0.05  -0.12     0.12  -0.02   0.13
                     13                     14                     15
                      A                      A                      A
 Frequencies --    304.4287               350.6857               394.0340
 Red. masses --      4.1539                 4.9942                 5.2777
 Frc consts  --      0.2268                 0.3619                 0.4828
 IR Inten    --      0.3516                 1.1133                 0.5238
 RamAct Fr= 1--      8.1927                 9.7505                 0.4840
  Dep-P Fr= 1--      0.1110                 0.2268                 0.6846
  Dep-U Fr= 1--      0.1998                 0.3697                 0.8127
 Alpha2 Fr= 1--      0.1396                 0.1232                 0.0006
 Beta2  Fr= 1--      0.2729                 0.6008                 0.0656
 AlphaG Fr= 1--      0.0904                -0.0099                 0.0111
 Gamma2 Fr= 1--     -0.3666                 0.5095                -0.5437
 Delta2 Fr= 1--     -0.6002                 0.5340                -0.9255
 Raman1 Fr= 1--      32.771                 39.002                  1.936
 ROA1   Fr= 1--     -54.398                 66.001                -81.814
 CID1   Fr= 1--      -1.660                  1.692                -42.261
 Raman2 Fr= 1--       3.274                  7.209                  0.787
 ROA2   Fr= 1--      -3.997                  7.956                 -5.646
 CID2   Fr= 1--      -1.221                  1.104                 -7.177
 Raman3 Fr= 1--       6.548                 14.418                  1.573
 ROA3   Fr= 1--     -54.398                 66.001                -81.814
 CID3   Fr= 1--      -8.307                  4.578                -51.998
 RC180  Fr= 1--      -0.600                 -0.261                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.09   0.05     0.10   0.03  -0.06     0.07   0.07   0.15
     2   6    -0.04  -0.05   0.06     0.03   0.06  -0.05     0.05   0.06   0.08
     3   6     0.08  -0.03   0.07     0.03   0.01  -0.07     0.01   0.01   0.16
     4   6     0.03   0.08  -0.02    -0.01   0.01   0.03    -0.02  -0.10  -0.11
     5   6    -0.02   0.10  -0.06    -0.04   0.02   0.05    -0.04  -0.08  -0.08
     6   6    -0.07   0.05  -0.01     0.03   0.06   0.03     0.03  -0.04  -0.12
     7   6    -0.02   0.07  -0.05    -0.10  -0.05   0.08     0.02  -0.08  -0.20
     8   6    -0.03   0.06  -0.01    -0.12  -0.08  -0.01     0.04   0.06   0.17
     9   6    -0.05   0.06   0.03    -0.15  -0.07  -0.05    -0.02   0.09   0.23
    10   6    -0.02   0.09  -0.06    -0.08  -0.03   0.01    -0.06   0.04   0.13
    11   6    -0.06  -0.09   0.06    -0.19   0.03   0.03    -0.06   0.05   0.02
    12   8     0.04  -0.11  -0.05     0.17  -0.07   0.03     0.05   0.04  -0.11
    13   6     0.23   0.05  -0.03     0.21  -0.08  -0.01    -0.02  -0.03  -0.01
    14   1    -0.08  -0.10   0.09     0.00   0.04  -0.06     0.06   0.06   0.07
    15   1     0.16  -0.06   0.08    -0.02   0.04  -0.08    -0.08   0.05   0.20
    16   1    -0.15   0.08  -0.02     0.08   0.05   0.04     0.11  -0.08  -0.21
    17   1    -0.05   0.08  -0.08    -0.17  -0.01   0.13     0.08  -0.13  -0.38
    18   1    -0.02   0.08  -0.02    -0.10  -0.07  -0.02     0.11   0.12   0.24
    19   1     0.00   0.08  -0.08    -0.01  -0.05   0.02    -0.13   0.06   0.11
    20   1    -0.13  -0.11  -0.01    -0.14   0.04   0.13    -0.13   0.02   0.02
    21   6    -0.12   0.01   0.12     0.07  -0.02   0.10     0.08   0.00   0.05
    22   6    -0.00  -0.10   0.03    -0.14   0.08  -0.02    -0.04   0.01  -0.07
    23   1     0.15   0.25   0.08     0.18  -0.03  -0.08     0.04  -0.12   0.11
    24   1     0.43   0.07  -0.10     0.19  -0.09   0.01     0.00  -0.01  -0.04
    25   1     0.25  -0.02  -0.07     0.29  -0.06   0.00    -0.18  -0.04  -0.02
    26   1    -0.07   0.03   0.09     0.13   0.08   0.02     0.20   0.01  -0.01
    27   1    -0.23  -0.04   0.20     0.26   0.06   0.06     0.15   0.04  -0.03
    28   1    -0.13   0.15   0.12     0.10  -0.22   0.29     0.10  -0.08   0.22
    29   8     0.05   0.01   0.08    -0.03  -0.01  -0.17    -0.06  -0.08  -0.13
    30   8    -0.05  -0.10  -0.16     0.06   0.11   0.07    -0.04   0.01  -0.07
    31   1    -0.04   0.06  -0.22     0.35   0.00  -0.02    -0.07   0.04  -0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --    417.0250               422.8950               468.1367
 Red. masses --      3.3019                 4.3421                 4.8720
 Frc consts  --      0.3383                 0.4575                 0.6291
 IR Inten    --      0.0888                 0.8879                 3.3294
 RamAct Fr= 1--      2.0994                 0.5703                 1.3841
  Dep-P Fr= 1--      0.7462                 0.3011                 0.2709
  Dep-U Fr= 1--      0.8547                 0.4628                 0.4263
 Alpha2 Fr= 1--      0.0001                 0.0058                 0.0155
 Beta2  Fr= 1--      0.2990                 0.0440                 0.0983
 AlphaG Fr= 1--     -0.0011                -0.0068                 0.0090
 Gamma2 Fr= 1--     -0.4558                -0.4549                 0.3842
 Delta2 Fr= 1--      0.1036                 0.3124                 0.0875
 Raman1 Fr= 1--       8.398                  2.281                  5.536
 ROA1   Fr= 1--     -40.440                -33.671                 39.686
 CID1   Fr= 1--      -4.816                -14.760                  7.168
 Raman2 Fr= 1--       3.589                  0.528                  1.180
 ROA2   Fr= 1--     -11.767                -13.417                  8.522
 CID2   Fr= 1--      -3.279                -25.417                  7.222
 Raman3 Fr= 1--       7.177                  1.056                  2.360
 ROA3   Fr= 1--     -40.440                -33.671                 39.686
 CID3   Fr= 1--      -5.635                -31.895                 16.816
 RC180  Fr= 1--       0.709                 -0.074                 -0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.10     0.08   0.06  -0.07     0.02   0.11   0.01
     2   6    -0.01  -0.01  -0.20     0.06   0.06  -0.02    -0.05   0.14  -0.00
     3   6     0.01   0.01   0.10    -0.02  -0.04  -0.07    -0.10   0.05   0.02
     4   6    -0.00  -0.02  -0.03     0.01  -0.15   0.08    -0.13  -0.07   0.00
     5   6     0.00  -0.00   0.09    -0.06  -0.12   0.04    -0.12  -0.07   0.03
     6   6     0.03   0.02   0.24     0.06  -0.06   0.02    -0.03   0.01  -0.01
     7   6    -0.01  -0.02  -0.17     0.12  -0.07   0.10    -0.10  -0.04  -0.02
     8   6     0.02   0.03   0.13     0.05   0.14  -0.13    -0.08   0.02   0.04
     9   6    -0.00   0.02   0.01    -0.07   0.17  -0.09    -0.01   0.02   0.01
    10   6    -0.03  -0.01  -0.17    -0.13   0.09  -0.05    -0.11  -0.06   0.04
    11   6    -0.01   0.00   0.01    -0.09   0.01   0.06     0.09   0.05  -0.11
    12   8     0.01   0.01   0.05     0.10   0.11   0.01     0.10  -0.08  -0.01
    13   6    -0.00  -0.00   0.01    -0.05  -0.03   0.01     0.18  -0.09  -0.01
    14   1    -0.03  -0.03  -0.32     0.07   0.07   0.01    -0.02   0.16  -0.03
    15   1     0.02   0.03   0.31    -0.17   0.01  -0.09    -0.26   0.11   0.02
    16   1     0.06   0.04   0.45     0.20  -0.11   0.03     0.09  -0.04  -0.05
    17   1    -0.01  -0.05  -0.34     0.30  -0.12   0.16    -0.05  -0.06  -0.04
    18   1     0.04   0.05   0.26     0.18   0.24  -0.23    -0.10  -0.00   0.06
    19   1    -0.07  -0.02  -0.40    -0.28   0.15  -0.02    -0.19  -0.03   0.02
    20   1    -0.02  -0.00   0.00    -0.21  -0.04   0.04     0.04   0.03  -0.23
    21   6    -0.01  -0.00   0.01    -0.08  -0.05   0.05     0.07   0.07  -0.20
    22   6     0.00  -0.00   0.00    -0.02  -0.06   0.06     0.14  -0.04   0.02
    23   1    -0.01  -0.03  -0.09     0.03  -0.21  -0.00     0.14   0.01  -0.01
    24   1    -0.08  -0.02   0.05    -0.18  -0.01   0.03     0.24  -0.09  -0.02
    25   1     0.05   0.03   0.03    -0.14  -0.01   0.02     0.23  -0.09  -0.01
    26   1    -0.00  -0.01   0.01    -0.10  -0.10   0.09     0.07   0.01  -0.16
    27   1    -0.01  -0.01  -0.00    -0.10  -0.06   0.01     0.05   0.07  -0.26
    28   1    -0.01   0.01   0.01    -0.08  -0.04   0.01     0.07   0.08  -0.23
    29   8     0.00  -0.00   0.00     0.05  -0.00   0.06     0.05   0.07   0.18
    30   8    -0.00  -0.01  -0.01    -0.01  -0.06  -0.06     0.01  -0.08   0.02
    31   1     0.00   0.01  -0.01     0.10   0.07  -0.15    -0.30  -0.10   0.16
                     19                     20                     21
                      A                      A                      A
 Frequencies --    483.1789               535.1604               557.3698
 Red. masses --      2.5469                 6.3494                 3.3755
 Frc consts  --      0.3503                 1.0714                 0.6178
 IR Inten    --     14.5977                 2.4527                 6.3802
 RamAct Fr= 1--      0.0690                17.2181                 5.2911
  Dep-P Fr= 1--      0.7120                 0.3781                 0.1783
  Dep-U Fr= 1--      0.8318                 0.5487                 0.3026
 Alpha2 Fr= 1--      0.0000                 0.1377                 0.0761
 Beta2  Fr= 1--      0.0096                 1.5746                 0.2668
 AlphaG Fr= 1--     -0.0009                 0.0863                -0.0853
 Gamma2 Fr= 1--      0.2149                 0.0561                 0.2295
 Delta2 Fr= 1--      0.0898                 0.2242                 0.1115
 Raman1 Fr= 1--       0.276                 68.872                 21.165
 ROA1   Fr= 1--      23.508                 12.565                 25.600
 CID1   Fr= 1--      85.153                  0.182                  1.210
 Raman2 Fr= 1--       0.115                 18.895                  3.202
 ROA2   Fr= 1--       4.440                 -0.446                  4.616
 CID2   Fr= 1--      38.670                 -0.024                  1.442
 Raman3 Fr= 1--       0.230                 37.790                  6.404
 ROA3   Fr= 1--      23.508                 12.565                 25.600
 CID3   Fr= 1--     102.378                  0.332                  3.998
 RC180  Fr= 1--       0.664                  0.097                 -0.395
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.07    -0.06   0.12  -0.04     0.08  -0.04   0.11
     2   6     0.00   0.00   0.05    -0.27   0.21   0.01    -0.04  -0.04  -0.01
     3   6    -0.01  -0.01  -0.12     0.07   0.17  -0.03     0.09  -0.06   0.01
     4   6     0.02   0.02   0.19     0.13  -0.05   0.02     0.07   0.00  -0.10
     5   6     0.02   0.02   0.20    -0.12   0.02  -0.01    -0.03   0.07   0.05
     6   6    -0.01  -0.01  -0.10    -0.23   0.06   0.02    -0.07   0.07  -0.01
     7   6    -0.01  -0.01  -0.10     0.25  -0.10   0.00     0.04  -0.04  -0.04
     8   6     0.01   0.00   0.05     0.27  -0.16  -0.04     0.05  -0.08   0.07
     9   6     0.00   0.00   0.04     0.04  -0.07   0.03    -0.08  -0.05  -0.11
    10   6    -0.01  -0.01  -0.11    -0.07  -0.11  -0.00    -0.04  -0.00   0.06
    11   6    -0.00   0.00   0.00     0.02   0.01   0.05    -0.10   0.01  -0.08
    12   8    -0.00  -0.00  -0.01    -0.04  -0.06   0.02     0.04   0.10  -0.04
    13   6    -0.00   0.00  -0.00     0.05   0.02  -0.01    -0.06   0.04  -0.00
    14   1    -0.01  -0.01  -0.12    -0.25   0.22   0.05    -0.16  -0.15  -0.18
    15   1    -0.04  -0.05  -0.49    -0.06   0.22   0.00     0.14  -0.09  -0.08
    16   1    -0.05  -0.04  -0.46    -0.16   0.05   0.06    -0.14   0.08  -0.15
    17   1    -0.04  -0.04  -0.42     0.24  -0.10  -0.01    -0.03   0.00   0.09
    18   1    -0.00  -0.01  -0.05     0.33  -0.11  -0.10     0.11  -0.03   0.29
    19   1    -0.04  -0.04  -0.45     0.00  -0.14  -0.02     0.06  -0.03   0.15
    20   1     0.00   0.00   0.00     0.06   0.03   0.08    -0.10   0.02  -0.15
    21   6    -0.00  -0.00   0.00    -0.01  -0.03   0.05     0.02   0.03  -0.10
    22   6     0.00   0.00  -0.00    -0.01   0.01   0.01    -0.07  -0.06   0.04
    23   1    -0.00   0.00   0.00    -0.01   0.15  -0.01     0.01  -0.11   0.01
    24   1     0.00  -0.00   0.00     0.13   0.01  -0.02    -0.15   0.04   0.02
    25   1    -0.01   0.01   0.00     0.14   0.01  -0.01    -0.17   0.06   0.01
    26   1     0.01  -0.01   0.00    -0.05  -0.06   0.08     0.06   0.03  -0.11
    27   1     0.00   0.00  -0.00    -0.01  -0.03   0.04     0.09   0.06  -0.16
    28   1    -0.00   0.00   0.02    -0.02  -0.04   0.01     0.03  -0.05  -0.01
    29   8    -0.00  -0.00  -0.00    -0.01  -0.06  -0.04     0.04   0.10   0.09
    30   8    -0.00   0.00  -0.00    -0.02   0.01  -0.04     0.01  -0.07   0.05
    31   1    -0.02   0.00   0.01    -0.03   0.10  -0.06     0.56  -0.09  -0.17
                     22                     23                     24
                      A                      A                      A
 Frequencies --    577.8960               596.4236               617.4476
 Red. masses --      2.8086                 1.8152                 3.4111
 Frc consts  --      0.5526                 0.3804                 0.7662
 IR Inten    --     42.0122                60.6067                24.2823
 RamAct Fr= 1--      4.0247                 2.7525                 1.5187
  Dep-P Fr= 1--      0.4041                 0.7358                 0.6091
  Dep-U Fr= 1--      0.5756                 0.8478                 0.7570
 Alpha2 Fr= 1--      0.0294                 0.0007                 0.0039
 Beta2  Fr= 1--      0.3861                 0.3889                 0.1916
 AlphaG Fr= 1--      0.0954                -0.0027                -0.0385
 Gamma2 Fr= 1--      0.4004                 0.0162                 0.4938
 Delta2 Fr= 1--     -0.4016                -0.8150                 0.5565
 Raman1 Fr= 1--      16.099                 11.010                  6.075
 ROA1   Fr= 1--      25.584                -24.529                 65.207
 CID1   Fr= 1--       1.589                 -2.228                 10.734
 Raman2 Fr= 1--       4.633                  4.667                  2.299
 ROA2   Fr= 1--      12.822                  6.908                  7.398
 CID2   Fr= 1--       2.767                  1.480                  3.217
 Raman3 Fr= 1--       9.267                  9.334                  4.599
 ROA3   Fr= 1--      25.584                -24.529                 65.207
 CID3   Fr= 1--       2.761                 -2.628                 14.179
 RC180  Fr= 1--       0.151                  0.696                  0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.08   0.13    -0.03  -0.01  -0.11    -0.05   0.02  -0.11
     2   6     0.01   0.05  -0.03     0.03  -0.00   0.03    -0.01   0.02   0.04
     3   6    -0.04   0.11  -0.01     0.00   0.02   0.01     0.07   0.10   0.00
     4   6    -0.02  -0.03  -0.08     0.01   0.02   0.07     0.10  -0.02   0.05
     5   6     0.08  -0.06   0.06     0.02  -0.01  -0.05     0.07  -0.02  -0.04
     6   6     0.07  -0.10   0.01     0.03  -0.02  -0.03     0.01  -0.08  -0.03
     7   6     0.01  -0.01  -0.03    -0.01  -0.00   0.01     0.01  -0.12  -0.00
     8   6     0.01   0.07   0.03    -0.01  -0.02  -0.00    -0.02  -0.01   0.02
     9   6     0.03   0.03  -0.14     0.01   0.00   0.10    -0.07   0.04   0.06
    10   6     0.07   0.04   0.02     0.02  -0.01  -0.00     0.04   0.11   0.00
    11   6     0.01  -0.03  -0.00    -0.03   0.09   0.00    -0.11  -0.10  -0.09
    12   8    -0.10  -0.13  -0.00    -0.03  -0.03   0.03    -0.06  -0.05   0.03
    13   6     0.04  -0.02  -0.01    -0.00   0.00   0.00    -0.02   0.02   0.00
    14   1     0.14   0.15  -0.30     0.08   0.04   0.25     0.10   0.11   0.26
    15   1    -0.10   0.12  -0.13     0.03   0.03   0.12     0.10   0.11   0.13
    16   1     0.10  -0.13  -0.16     0.04  -0.00   0.12     0.04  -0.07   0.10
    17   1     0.10  -0.02   0.15    -0.05  -0.01  -0.17    -0.01  -0.13  -0.18
    18   1     0.05   0.11   0.27    -0.03  -0.05  -0.19     0.07   0.06  -0.15
    19   1     0.02   0.08   0.14     0.03  -0.02  -0.11     0.05   0.09  -0.09
    20   1     0.02  -0.03   0.04    -0.01   0.10  -0.05    -0.18  -0.12  -0.12
    21   6    -0.02  -0.01   0.02     0.03   0.04  -0.08    -0.01  -0.01  -0.00
    22   6    -0.07  -0.01   0.03    -0.04  -0.02   0.06    -0.02  -0.03  -0.11
    23   1    -0.06   0.18  -0.02    -0.02   0.05   0.00    -0.06   0.10   0.00
    24   1     0.18  -0.05  -0.02     0.02   0.01  -0.01     0.03   0.02  -0.01
    25   1     0.16  -0.02  -0.01     0.04  -0.01  -0.00     0.05  -0.00  -0.01
    26   1    -0.07   0.00   0.03     0.04  -0.06  -0.03     0.13   0.14  -0.15
    27   1    -0.06  -0.03   0.08     0.10   0.08  -0.24     0.03   0.00   0.09
    28   1    -0.03   0.03  -0.04     0.04  -0.06  -0.05     0.01  -0.00   0.20
    29   8     0.00   0.01  -0.01     0.02  -0.03   0.03    -0.02   0.17   0.02
    30   8    -0.02  -0.00   0.02    -0.06  -0.03  -0.02     0.08  -0.06   0.08
    31   1     0.54   0.06  -0.24     0.66   0.21  -0.40    -0.16  -0.48   0.33
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.6200               684.9949               691.9348
 Red. masses --      2.5507                 3.3633                 4.8409
 Frc consts  --      0.6091                 0.9298                 1.3656
 IR Inten    --     14.2091                21.1621                 5.0547
 RamAct Fr= 1--      1.8123                 0.2976                 1.8832
  Dep-P Fr= 1--      0.7498                 0.7042                 0.0711
  Dep-U Fr= 1--      0.8570                 0.8264                 0.1327
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0354
 Beta2  Fr= 1--      0.2589                 0.0410                 0.0417
 AlphaG Fr= 1--      0.0010                 0.0196                 0.0499
 Gamma2 Fr= 1--     -0.2915                -0.5939                 0.0157
 Delta2 Fr= 1--     -0.2910                 0.0830                -0.0173
 Raman1 Fr= 1--       7.249                  1.191                  7.533
 ROA1   Fr= 1--     -37.296                -54.361                  0.953
 CID1   Fr= 1--      -5.145                -45.659                  0.126
 Raman2 Fr= 1--       3.106                  0.492                  0.500
 ROA2   Fr= 1--      -4.667                -14.918                  0.514
 CID2   Fr= 1--      -1.503                -30.322                  1.029
 Raman3 Fr= 1--       6.213                  0.984                  1.000
 ROA3   Fr= 1--     -37.296                -54.361                  0.953
 CID3   Fr= 1--      -6.003                -55.247                  0.953
 RC180  Fr= 1--       0.714                  0.653                 -0.735
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.07     0.03   0.03   0.22    -0.03  -0.01   0.09
     2   6    -0.02   0.02   0.03    -0.05  -0.02  -0.10     0.17   0.03  -0.06
     3   6    -0.07  -0.07   0.03     0.02   0.01  -0.07    -0.11  -0.08  -0.01
     4   6    -0.07  -0.01   0.04     0.02  -0.02  -0.05    -0.07   0.04  -0.01
     5   6    -0.06  -0.01  -0.00     0.00  -0.01  -0.10    -0.06   0.01  -0.04
     6   6    -0.04   0.04  -0.03    -0.03  -0.03   0.14     0.17   0.17   0.01
     7   6     0.03   0.09  -0.03    -0.02  -0.04   0.12     0.13   0.20   0.01
     8   6     0.04   0.06   0.02    -0.05  -0.01  -0.09     0.16  -0.01  -0.05
     9   6     0.08   0.00   0.00     0.02   0.03   0.23     0.01  -0.03   0.09
    10   6    -0.02  -0.05   0.02     0.01   0.03  -0.08    -0.09  -0.15   0.01
    11   6     0.11  -0.15  -0.05     0.03  -0.03  -0.01    -0.14   0.05  -0.01
    12   8     0.05   0.04   0.00     0.02   0.02  -0.03    -0.11  -0.11   0.01
    13   6     0.03  -0.02   0.00     0.00   0.00  -0.00    -0.02  -0.00   0.00
    14   1    -0.06  -0.01   0.19    -0.09  -0.05  -0.46     0.16   0.02  -0.18
    15   1    -0.11  -0.04   0.11    -0.00  -0.01  -0.34    -0.11  -0.09  -0.10
    16   1    -0.02   0.04   0.04    -0.04  -0.02   0.11     0.23   0.15   0.02
    17   1     0.09   0.06  -0.14    -0.03  -0.04   0.07     0.15   0.18  -0.04
    18   1    -0.02   0.01  -0.03    -0.07  -0.04  -0.44     0.09  -0.07  -0.20
    19   1    -0.09  -0.02   0.01    -0.01   0.02  -0.23    -0.08  -0.17  -0.08
    20   1     0.10  -0.16   0.05    -0.01  -0.05  -0.02    -0.16   0.05  -0.08
    21   6    -0.01  -0.04   0.05     0.01   0.01  -0.01    -0.02  -0.00   0.01
    22   6    -0.02   0.01  -0.10     0.07   0.01  -0.08    -0.08  -0.04  -0.03
    23   1     0.06  -0.08   0.01     0.02  -0.04  -0.01    -0.10   0.17  -0.01
    24   1    -0.02  -0.01   0.00    -0.01  -0.01   0.01     0.11  -0.03  -0.01
    25   1    -0.01  -0.02   0.00    -0.04   0.02   0.00     0.10  -0.02  -0.00
    26   1    -0.04   0.14  -0.04     0.06   0.07  -0.06     0.09  -0.05  -0.01
    27   1    -0.14  -0.10   0.34     0.01   0.00   0.05     0.11   0.06  -0.15
    28   1    -0.03   0.15  -0.02     0.02   0.04   0.04     0.01  -0.17   0.19
    29   8    -0.06   0.08  -0.03    -0.05   0.03  -0.00     0.01   0.09   0.00
    30   8    -0.02  -0.01   0.08    -0.04  -0.02   0.04     0.05  -0.08   0.00
    31   1     0.68  -0.17  -0.16     0.36  -0.07  -0.11    -0.18  -0.29   0.17
                     28                     29                     30
                      A                      A                      A
 Frequencies --    757.7788               778.6814               799.9287
 Red. masses --      5.5307                 2.5411                 3.3995
 Frc consts  --      1.8712                 0.9078                 1.2816
 IR Inten    --     23.8688                 2.3281                13.0185
 RamAct Fr= 1--     46.4906                 8.8956                40.6747
  Dep-P Fr= 1--      0.0790                 0.0888                 0.1012
  Dep-U Fr= 1--      0.1465                 0.1630                 0.1838
 Alpha2 Fr= 1--      0.8565                 0.1601                 0.7101
 Beta2  Fr= 1--      1.1353                 0.2417                 1.2459
 AlphaG Fr= 1--      0.1804                 0.1608                -0.4974
 Gamma2 Fr= 1--      0.1128                 1.1743                -2.5444
 Delta2 Fr= 1--      0.2565                -0.2921                 0.2265
 Raman1 Fr= 1--     185.962                 35.582                162.699
 ROA1   Fr= 1--      19.040                103.382               -237.016
 CID1   Fr= 1--       0.102                  2.905                 -1.457
 Raman2 Fr= 1--      13.623                  2.901                 14.951
 ROA2   Fr= 1--       0.656                 30.518                -62.878
 CID2   Fr= 1--       0.048                 10.521                 -4.206
 Raman3 Fr= 1--      27.247                  5.801                 29.903
 ROA3   Fr= 1--      19.040                103.382               -237.016
 CID3   Fr= 1--       0.699                 17.821                 -7.926
 RC180  Fr= 1--      -0.707                 -0.674                 -0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.03     0.01   0.01   0.11     0.00  -0.00   0.01
     2   6     0.12   0.07   0.01    -0.01   0.00  -0.12     0.03  -0.04  -0.05
     3   6    -0.00  -0.11   0.02    -0.02  -0.03  -0.01     0.09   0.09   0.00
     4   6     0.03  -0.10  -0.01     0.01  -0.01   0.19     0.05   0.09   0.09
     5   6    -0.04   0.11   0.03    -0.02  -0.00  -0.19    -0.04  -0.06  -0.03
     6   6     0.11   0.32  -0.05     0.01   0.05   0.01     0.02  -0.11   0.00
     7   6    -0.01  -0.26   0.01    -0.01  -0.05  -0.03     0.00   0.11  -0.09
     8   6    -0.03  -0.06  -0.01     0.00   0.01   0.10     0.01  -0.02  -0.02
     9   6    -0.09   0.04  -0.01    -0.00  -0.00  -0.09    -0.06  -0.01  -0.04
    10   6    -0.05   0.11  -0.02     0.02   0.03   0.04    -0.11  -0.08   0.01
    11   6     0.06  -0.06  -0.02     0.02  -0.03  -0.01    -0.07   0.03  -0.01
    12   8    -0.12  -0.11   0.03    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    13   6    -0.07   0.04   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.00  -0.02  -0.01     0.00   0.02   0.26     0.13   0.04   0.19
    15   1    -0.02  -0.10   0.07    -0.09  -0.07  -0.49     0.17   0.01  -0.38
    16   1     0.13   0.31  -0.14     0.05   0.10   0.48     0.09  -0.12   0.19
    17   1     0.01  -0.25   0.16    -0.02  -0.09  -0.38    -0.07   0.19   0.25
    18   1     0.15   0.09   0.11     0.01   0.02  -0.07     0.01  -0.00   0.41
    19   1    -0.02   0.11   0.02     0.06   0.05   0.33    -0.13  -0.05   0.25
    20   1    -0.03  -0.11   0.02     0.04  -0.02   0.03    -0.16  -0.01  -0.09
    21   6     0.01  -0.02   0.00     0.01   0.00  -0.02    -0.03  -0.03   0.05
    22   6     0.22   0.05  -0.05    -0.07  -0.01   0.05     0.27   0.04  -0.11
    23   1    -0.15   0.22  -0.01    -0.01   0.02   0.02    -0.01   0.01   0.01
    24   1     0.05   0.02  -0.01     0.01  -0.00  -0.00    -0.01   0.01   0.00
    25   1     0.06   0.02  -0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    26   1     0.01   0.13  -0.08    -0.04   0.02  -0.01     0.08   0.02  -0.03
    27   1    -0.07  -0.06   0.21    -0.04  -0.02   0.04     0.05   0.00   0.03
    28   1    -0.00   0.13  -0.03    -0.00   0.06  -0.09    -0.01  -0.11   0.21
    29   8    -0.04  -0.07   0.04     0.03  -0.01  -0.01    -0.06  -0.03   0.05
    30   8    -0.07   0.07   0.03     0.02   0.03  -0.01    -0.07   0.01   0.03
    31   1     0.23   0.23  -0.15    -0.09   0.04   0.03     0.17   0.10  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    814.9915               818.0111               842.1863
 Red. masses --      1.9202                 1.6897                 2.3354
 Frc consts  --      0.7514                 0.6662                 0.9760
 IR Inten    --      5.0373                16.9108                 0.6158
 RamAct Fr= 1--      1.6765                 0.2519                 1.8377
  Dep-P Fr= 1--      0.4642                 0.5183                 0.2036
  Dep-U Fr= 1--      0.6340                 0.6827                 0.3384
 Alpha2 Fr= 1--      0.0097                 0.0011                 0.0247
 Beta2  Fr= 1--      0.1772                 0.0287                 0.1036
 AlphaG Fr= 1--     -0.0574                -0.0052                 0.0124
 Gamma2 Fr= 1--      1.2117                 0.3683                 1.3559
 Delta2 Fr= 1--     -0.3050                -0.0306                 0.1554
 Raman1 Fr= 1--       6.706                  1.008                  7.351
 ROA1   Fr= 1--     106.561                 34.383                135.144
 CID1   Fr= 1--      15.890                 34.123                 18.385
 Raman2 Fr= 1--       2.126                  0.344                  1.244
 ROA2   Fr= 1--      31.520                  9.085                 31.299
 CID2   Fr= 1--      14.826                 26.411                 25.166
 Raman3 Fr= 1--       4.252                  0.688                  2.487
 ROA3   Fr= 1--     106.561                 34.383                135.144
 CID3   Fr= 1--      25.062                 49.979                 54.330
 RC180  Fr= 1--       0.268                  0.365                 -0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01     0.01   0.01   0.09     0.01  -0.01  -0.06
     2   6    -0.03   0.00  -0.03    -0.01  -0.01  -0.10     0.02   0.01   0.03
     3   6    -0.05  -0.03   0.04     0.01   0.01  -0.00     0.05   0.02   0.04
     4   6    -0.02  -0.02   0.05    -0.00  -0.00  -0.09     0.03   0.01   0.05
     5   6     0.03   0.03   0.01     0.01   0.01   0.12    -0.03  -0.02  -0.04
     6   6    -0.02   0.03  -0.02    -0.01  -0.02  -0.10     0.01  -0.00   0.03
     7   6    -0.02  -0.06  -0.07     0.01   0.01   0.03     0.00   0.02  -0.08
     8   6    -0.01  -0.02  -0.08    -0.00   0.00  -0.03    -0.01   0.01  -0.08
     9   6     0.04   0.01   0.05    -0.00   0.00   0.02    -0.00   0.01   0.12
    10   6     0.07   0.03  -0.03    -0.01  -0.00   0.03    -0.05  -0.02   0.01
    11   6     0.03   0.09   0.07    -0.01  -0.04  -0.03     0.01  -0.13  -0.04
    12   8     0.01   0.01   0.00    -0.00  -0.00  -0.02    -0.01  -0.01   0.02
    13   6     0.02  -0.01   0.00    -0.00   0.00  -0.00    -0.02   0.01   0.00
    14   1    -0.03   0.01   0.23     0.07   0.07   0.64     0.00  -0.01  -0.17
    15   1    -0.14  -0.05  -0.30     0.02   0.01   0.03     0.05  -0.03  -0.36
    16   1    -0.04   0.07   0.15     0.06   0.04   0.52     0.04  -0.04  -0.13
    17   1     0.07  -0.02   0.53     0.01   0.02   0.08     0.06   0.09   0.54
    18   1     0.05   0.05   0.48    -0.00   0.00  -0.03     0.03   0.06   0.36
    19   1     0.11   0.02  -0.04    -0.08  -0.04  -0.45    -0.11  -0.01  -0.12
    20   1     0.08   0.12   0.01    -0.02  -0.05  -0.00    -0.02  -0.15   0.06
    21   6    -0.00   0.02   0.04     0.00  -0.00  -0.02     0.03   0.02  -0.11
    22   6    -0.03   0.00  -0.06    -0.01  -0.00   0.03    -0.12  -0.03   0.10
    23   1     0.02  -0.02   0.01    -0.00   0.01   0.03    -0.02   0.03  -0.01
    24   1     0.01  -0.01  -0.00     0.00   0.01  -0.01    -0.01   0.01   0.00
    25   1     0.01  -0.01  -0.00    -0.01  -0.00  -0.01    -0.00   0.01   0.00
    26   1    -0.05  -0.18   0.18     0.02   0.07  -0.07     0.05   0.23  -0.24
    27   1     0.03   0.04  -0.17    -0.01  -0.01   0.06    -0.05  -0.03   0.18
    28   1     0.00  -0.08  -0.04    -0.00   0.04   0.01     0.02   0.18  -0.08
    29   8    -0.03   0.06  -0.03     0.01  -0.02   0.01     0.05  -0.03   0.00
    30   8     0.01  -0.10  -0.01     0.00   0.04   0.00     0.02   0.08  -0.00
    31   1     0.05  -0.23   0.02    -0.03   0.08   0.00    -0.09   0.12   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    851.6811               896.3611               917.0133
 Red. masses --      3.1362                 1.7087                 1.5513
 Frc consts  --      1.3403                 0.8089                 0.7686
 IR Inten    --      3.4490                33.1949                11.2392
 RamAct Fr= 1--     21.7134                 2.0809                 1.8468
  Dep-P Fr= 1--      0.0732                 0.7233                 0.5851
  Dep-U Fr= 1--      0.1364                 0.8394                 0.7383
 Alpha2 Fr= 1--      0.4057                 0.0010                 0.0057
 Beta2  Fr= 1--      0.4936                 0.2911                 0.2272
 AlphaG Fr= 1--      0.5239                 0.0003                 0.0745
 Gamma2 Fr= 1--     -1.6015                -0.2527                 0.1999
 Delta2 Fr= 1--     -0.0811                -0.2371                 0.1985
 Raman1 Fr= 1--      86.854                  8.324                  7.387
 ROA1   Fr= 1--    -156.342                -31.844                 25.540
 CID1   Fr= 1--      -1.800                 -3.826                  3.457
 Raman2 Fr= 1--       5.923                  3.494                  2.727
 ROA2   Fr= 1--     -37.787                 -4.167                  3.209
 CID2   Fr= 1--      -6.380                 -1.193                  1.177
 Raman3 Fr= 1--      11.846                  6.987                  5.453
 ROA3   Fr= 1--    -156.342                -31.844                 25.540
 CID3   Fr= 1--     -13.198                 -4.558                  4.683
 RC180  Fr= 1--      -0.727                  0.679                  0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.01     0.01   0.01   0.09    -0.00   0.00   0.01
     2   6     0.04   0.01  -0.01    -0.00  -0.00  -0.02     0.00  -0.01  -0.06
     3   6     0.17   0.06  -0.04    -0.02  -0.02  -0.18    -0.01   0.00   0.01
     4   6     0.08   0.03  -0.02     0.01   0.01   0.11    -0.01   0.00  -0.03
     5   6    -0.08  -0.04   0.03    -0.00  -0.00  -0.03     0.01   0.01   0.08
     6   6     0.03   0.01  -0.01     0.00  -0.00   0.02     0.00  -0.01   0.01
     7   6    -0.06  -0.02   0.03    -0.00  -0.00  -0.05     0.01   0.01   0.01
     8   6    -0.08   0.03   0.01    -0.00  -0.01  -0.05     0.01  -0.01   0.00
     9   6    -0.01   0.03  -0.02    -0.00   0.00   0.02    -0.01   0.01   0.07
    10   6    -0.16  -0.07   0.02     0.00   0.00   0.00    -0.02  -0.00  -0.16
    11   6     0.17   0.05   0.09    -0.00  -0.01   0.00    -0.00  -0.02   0.02
    12   8    -0.04  -0.06   0.01    -0.00  -0.00  -0.02     0.00   0.00  -0.01
    13   6    -0.07   0.06   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.04   0.00   0.04     0.01   0.00   0.03     0.06   0.04   0.41
    15   1     0.35   0.01   0.06     0.08   0.09   0.87    -0.01   0.01   0.02
    16   1     0.15  -0.03   0.01    -0.00  -0.00  -0.01    -0.02  -0.03  -0.22
    17   1    -0.16   0.01  -0.09     0.02   0.02   0.12    -0.01   0.01  -0.02
    18   1    -0.11   0.00  -0.05     0.04   0.04   0.36     0.01  -0.02  -0.06
    19   1    -0.34  -0.01   0.04     0.01   0.00   0.03     0.10   0.08   0.83
    20   1     0.18   0.06   0.20    -0.01  -0.02   0.01    -0.03  -0.04   0.06
    21   6     0.07   0.02   0.02     0.00   0.00  -0.02     0.02   0.01  -0.04
    22   6    -0.09   0.01  -0.03    -0.01  -0.00   0.01    -0.02  -0.01   0.01
    23   1    -0.09   0.10   0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
    24   1    -0.03   0.04  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.03   0.04  -0.00    -0.00   0.00  -0.00     0.00  -0.01  -0.00
    26   1    -0.21  -0.17   0.24     0.01   0.03  -0.03     0.01   0.07  -0.07
    27   1    -0.14  -0.07   0.00     0.00   0.00   0.01    -0.02  -0.00   0.04
    28   1     0.01   0.17  -0.39     0.00   0.02   0.00     0.01   0.05  -0.04
    29   8    -0.02   0.05  -0.06     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8     0.03  -0.10  -0.02     0.00   0.01  -0.00     0.00   0.01  -0.00
    31   1     0.03  -0.24   0.03    -0.00   0.00   0.00    -0.01  -0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    936.9969               949.5309               961.9769
 Red. masses --      3.7074                 1.3762                 1.3341
 Frc consts  --      1.9178                 0.7310                 0.7274
 IR Inten    --     11.9293                 2.6233                 0.8659
 RamAct Fr= 1--      8.3223                 1.0461                 1.5286
  Dep-P Fr= 1--      0.3705                 0.5377                 0.5964
  Dep-U Fr= 1--      0.5406                 0.6993                 0.7472
 Alpha2 Fr= 1--      0.0683                 0.0043                 0.0044
 Beta2  Fr= 1--      0.7499                 0.1219                 0.1904
 AlphaG Fr= 1--      0.1657                 0.0043                 0.0876
 Gamma2 Fr= 1--      3.9178                -0.9859                 0.7324
 Delta2 Fr= 1--     -1.9138                 0.5270                 0.1309
 Raman1 Fr= 1--      33.289                  4.185                  6.115
 ROA1   Fr= 1--     314.864                -77.781                 74.494
 CID1   Fr= 1--       9.459                -18.588                 12.183
 Raman2 Fr= 1--       8.999                  1.463                  2.284
 ROA2   Fr= 1--     109.337                -27.878                 16.529
 CID2   Fr= 1--      12.150                -19.052                  7.236
 Raman3 Fr= 1--      17.997                  2.926                  4.569
 ROA3   Fr= 1--     314.864                -77.781                 74.494
 CID3   Fr= 1--      17.495                -26.579                 16.305
 RC180  Fr= 1--       0.081                  0.399                  0.494
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.03  -0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.01
     2   6    -0.12   0.19  -0.03     0.00   0.03   0.09    -0.01   0.01  -0.01
     3   6     0.11  -0.12  -0.00     0.01  -0.01  -0.01     0.00  -0.01   0.03
     4   6     0.05  -0.07   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.02
     5   6     0.03  -0.06   0.01     0.01  -0.00   0.05     0.00  -0.00  -0.01
     6   6    -0.03   0.04   0.02    -0.01  -0.01  -0.12     0.00  -0.00   0.02
     7   6    -0.04   0.02  -0.01     0.00   0.01   0.01     0.01   0.02   0.11
     8   6    -0.13   0.20  -0.00    -0.01   0.01  -0.02    -0.01  -0.01  -0.12
     9   6     0.12  -0.03   0.01     0.01  -0.00   0.03     0.00  -0.00   0.01
    10   6     0.09  -0.13  -0.02     0.00  -0.01  -0.07     0.01   0.00   0.01
    11   6    -0.06   0.01  -0.06    -0.01  -0.01   0.01    -0.00  -0.01   0.01
    12   8    -0.01  -0.07   0.01    -0.00  -0.01   0.00     0.00  -0.00   0.00
    13   6    -0.08   0.08   0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    14   1    -0.18   0.15   0.15    -0.06  -0.04  -0.54    -0.00   0.02   0.05
    15   1     0.20  -0.16   0.02     0.01  -0.01   0.03    -0.00  -0.02  -0.10
    16   1     0.15  -0.04  -0.17     0.09   0.06   0.73     0.00  -0.02  -0.10
    17   1     0.18  -0.05   0.07     0.00  -0.00  -0.06    -0.07  -0.07  -0.67
    18   1    -0.23   0.13  -0.05    -0.00   0.02   0.10     0.07   0.08   0.68
    19   1     0.14  -0.14   0.14     0.05   0.02   0.32     0.01  -0.01  -0.05
    20   1     0.03   0.06  -0.24    -0.01  -0.01   0.01    -0.01  -0.01   0.00
    21   6    -0.08  -0.01   0.03     0.00   0.01  -0.01    -0.00   0.00  -0.01
    22   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23   1    -0.10   0.12   0.00    -0.01   0.01  -0.01    -0.00   0.01   0.00
    24   1    -0.04   0.06   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    25   1    -0.04   0.06  -0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
    26   1     0.14  -0.05  -0.04     0.01   0.02  -0.03     0.01   0.02  -0.02
    27   1     0.17   0.10  -0.17     0.01   0.01  -0.00     0.01   0.01   0.00
    28   1    -0.02  -0.29   0.35     0.00  -0.00   0.01     0.00   0.00   0.01
    29   8     0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    30   8    -0.00   0.02   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    31   1    -0.01   0.05   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    980.5783              1013.3083              1064.4489
 Red. masses --      3.5449                 2.0895                 1.9344
 Frc consts  --      2.0083                 1.2641                 1.2913
 IR Inten    --      0.9238                41.9814                55.0189
 RamAct Fr= 1--     17.3293                 7.1673                 7.2794
  Dep-P Fr= 1--      0.1219                 0.3812                 0.4429
  Dep-U Fr= 1--      0.2173                 0.5520                 0.6139
 Alpha2 Fr= 1--      0.2875                 0.0567                 0.0459
 Beta2  Fr= 1--      0.6275                 0.6594                 0.7448
 AlphaG Fr= 1--     -0.3035                 0.1997                 0.1612
 Gamma2 Fr= 1--     -0.9431                 0.6725                -0.3734
 Delta2 Fr= 1--     -0.6854                 1.7144                -1.0111
 Raman1 Fr= 1--      69.317                 28.669                 29.118
 ROA1   Fr= 1--    -112.469                119.423                -68.204
 CID1   Fr= 1--      -1.623                  4.166                 -2.342
 Raman2 Fr= 1--       7.530                  7.912                  8.938
 ROA2   Fr= 1--     -17.150                  2.425                 -0.874
 CID2   Fr= 1--      -2.278                  0.307                 -0.098
 Raman3 Fr= 1--      15.060                 15.825                 17.875
 ROA3   Fr= 1--    -112.469                119.423                -68.204
 CID3   Fr= 1--      -7.468                  7.547                 -3.816
 RC180  Fr= 1--      -0.565                  0.104                  0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     2   6    -0.06   0.23  -0.02    -0.02  -0.00   0.00     0.01  -0.01  -0.00
     3   6    -0.01  -0.22   0.02     0.00   0.00   0.00     0.00   0.01  -0.00
     4   6     0.00   0.03  -0.00     0.00  -0.02   0.00    -0.01   0.01   0.00
     5   6     0.01  -0.03  -0.00     0.03   0.00  -0.01    -0.03  -0.01   0.00
     6   6     0.00  -0.12   0.02    -0.01   0.02   0.00     0.00   0.00  -0.00
     7   6     0.00   0.13  -0.02     0.01  -0.01  -0.00    -0.03  -0.01   0.01
     8   6     0.05  -0.17   0.03    -0.03   0.08   0.01     0.02  -0.07   0.00
     9   6    -0.09  -0.00  -0.01    -0.01  -0.02  -0.04     0.07   0.04  -0.01
    10   6     0.03   0.18  -0.00     0.04  -0.07   0.02    -0.02   0.06  -0.01
    11   6    -0.00  -0.00   0.06    -0.09   0.02   0.15     0.07   0.08  -0.08
    12   8    -0.00  -0.04   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    13   6    -0.05   0.03   0.00     0.00  -0.00  -0.00    -0.01   0.01  -0.00
    14   1     0.07   0.34  -0.03    -0.04  -0.02   0.01    -0.01  -0.03   0.00
    15   1     0.06  -0.25   0.02    -0.02   0.01  -0.00    -0.01   0.01   0.00
    16   1     0.34  -0.26  -0.03    -0.06   0.04  -0.01     0.02  -0.01   0.01
    17   1    -0.28   0.25   0.05     0.16  -0.06  -0.01    -0.21   0.05   0.01
    18   1    -0.06  -0.26  -0.04    -0.01   0.09  -0.07    -0.01  -0.10   0.03
    19   1     0.03   0.17  -0.12     0.15  -0.13  -0.10    -0.24   0.16   0.06
    20   1    -0.04  -0.02   0.19    -0.14  -0.03   0.61     0.28   0.16   0.09
    21   6     0.05   0.02  -0.03     0.03  -0.00  -0.13    -0.11  -0.10  -0.00
    22   6     0.02   0.02  -0.02     0.05   0.09  -0.00    -0.04   0.07   0.06
    23   1    -0.07   0.08  -0.00     0.01  -0.01   0.00    -0.01   0.01   0.00
    24   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01   0.00
    25   1    -0.00   0.03  -0.00    -0.00  -0.00   0.00    -0.01   0.01  -0.00
    26   1    -0.07   0.04   0.00     0.05   0.37  -0.35     0.22   0.27  -0.34
    27   1    -0.08  -0.04   0.06    -0.04  -0.04   0.28     0.13  -0.01   0.27
    28   1     0.02   0.17  -0.20     0.02   0.25  -0.02    -0.05  -0.15   0.51
    29   8    -0.01   0.00  -0.01    -0.03   0.01  -0.02     0.01   0.01  -0.01
    30   8    -0.00  -0.02  -0.00     0.01  -0.11  -0.01     0.02  -0.09  -0.00
    31   1     0.00  -0.02  -0.00    -0.05   0.06  -0.04    -0.06   0.19  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.1747              1106.1044              1159.9581
 Red. masses --      3.5758                 2.1296                 1.8478
 Frc consts  --      2.4174                 1.5351                 1.4648
 IR Inten    --     50.5665                10.3560                33.7692
 RamAct Fr= 1--      6.5183                 4.9415                13.2581
  Dep-P Fr= 1--      0.1440                 0.2780                 0.2694
  Dep-U Fr= 1--      0.2517                 0.4351                 0.4245
 Alpha2 Fr= 1--      0.1023                 0.0541                 0.1487
 Beta2  Fr= 1--      0.2735                 0.3583                 0.9379
 AlphaG Fr= 1--      0.0558                -0.1793                 0.0107
 Gamma2 Fr= 1--      0.7569                -1.3220                -0.0191
 Delta2 Fr= 1--     -0.4631                 2.0104                -0.9062
 Raman1 Fr= 1--      26.073                 19.766                 53.032
 ROA1   Fr= 1--      57.842                -62.575                -30.830
 CID1   Fr= 1--       2.218                 -3.166                 -0.581
 Raman2 Fr= 1--       3.282                  4.300                 11.255
 ROA2   Fr= 1--      21.869                -47.811                  6.792
 CID2   Fr= 1--       6.664                -11.119                  0.603
 Raman3 Fr= 1--       6.564                  8.600                 22.510
 ROA3   Fr= 1--      57.842                -62.575                -30.830
 CID3   Fr= 1--       8.812                 -7.276                 -1.370
 RC180  Fr= 1--      -0.497                 -0.130                 -0.151
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.16  -0.06   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.00
     2   6    -0.03   0.10  -0.01    -0.02   0.01   0.00     0.05   0.02  -0.01
     3   6     0.04  -0.08   0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     4   6     0.06   0.04  -0.01    -0.02   0.02   0.00     0.03   0.01  -0.00
     5   6     0.01  -0.01   0.00     0.02   0.01  -0.00     0.01   0.09  -0.01
     6   6     0.03   0.02  -0.01     0.01  -0.00  -0.00    -0.04  -0.08   0.01
     7   6    -0.01  -0.05   0.01    -0.02  -0.02   0.00     0.01  -0.00  -0.00
     8   6    -0.02   0.03  -0.00    -0.00  -0.01  -0.01    -0.01   0.07  -0.01
     9   6     0.01   0.01   0.00     0.03   0.04   0.03    -0.13  -0.07   0.03
    10   6    -0.03  -0.04   0.00     0.04  -0.06  -0.01    -0.05  -0.03   0.00
    11   6     0.02   0.02  -0.02    -0.06   0.17  -0.16     0.06  -0.00  -0.06
    12   8    -0.15   0.21  -0.00     0.02  -0.01  -0.00     0.02  -0.01  -0.00
    13   6     0.18  -0.21   0.00    -0.01   0.02  -0.00    -0.03   0.00   0.00
    14   1     0.12   0.23  -0.04    -0.04  -0.00   0.00     0.47   0.35  -0.08
    15   1     0.64  -0.33  -0.03     0.02  -0.02   0.00    -0.07  -0.04   0.01
    16   1     0.24  -0.05  -0.02    -0.00   0.00   0.00    -0.32   0.02   0.03
    17   1    -0.06  -0.03   0.01    -0.04  -0.02   0.01     0.12  -0.04  -0.00
    18   1     0.05   0.08  -0.01    -0.00  -0.01   0.04     0.23   0.28  -0.05
    19   1    -0.09  -0.01   0.03     0.12  -0.09   0.03     0.32  -0.17  -0.00
    20   1     0.02   0.02  -0.01    -0.39   0.02  -0.06     0.30   0.11  -0.08
    21   6    -0.01  -0.02   0.01     0.09  -0.12   0.07     0.00  -0.02   0.03
    22   6    -0.01   0.01   0.01    -0.02  -0.03   0.01    -0.00   0.05   0.03
    23   1     0.16  -0.17   0.00    -0.00   0.00   0.00    -0.05   0.04  -0.00
    24   1     0.09  -0.14  -0.01    -0.01   0.01   0.00     0.04   0.00  -0.01
    25   1     0.10  -0.14   0.02    -0.01   0.01  -0.00     0.05  -0.00   0.00
    26   1     0.02   0.02  -0.03    -0.26   0.07   0.11    -0.00  -0.02   0.03
    27   1     0.00  -0.01   0.05    -0.31  -0.30   0.48    -0.00  -0.02   0.01
    28   1    -0.01  -0.02   0.06     0.01   0.34  -0.27    -0.00  -0.00  -0.02
    29   8     0.00   0.00  -0.00     0.02   0.00   0.02    -0.01   0.01  -0.01
    30   8     0.00  -0.01   0.00     0.00   0.00   0.00     0.02  -0.05   0.01
    31   1    -0.01   0.03  -0.01    -0.03   0.10  -0.02    -0.06   0.23  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1172.6567              1173.6540              1187.6683
 Red. masses --      1.2713                 1.7436                 1.7069
 Frc consts  --      1.0300                 1.4150                 1.4186
 IR Inten    --      0.7728                50.0334                60.2547
 RamAct Fr= 1--      0.6365                18.7427                 1.1221
  Dep-P Fr= 1--      0.7268                 0.1695                 0.3754
  Dep-U Fr= 1--      0.8418                 0.2898                 0.5459
 Alpha2 Fr= 1--      0.0003                 0.2757                 0.0091
 Beta2  Fr= 1--      0.0893                 0.9053                 0.1021
 AlphaG Fr= 1--      0.0180                -0.1953                -0.0061
 Gamma2 Fr= 1--      0.1231                -0.5659                -0.5030
 Delta2 Fr= 1--      0.0052                -0.0704                 0.0272
 Raman1 Fr= 1--       2.546                 74.971                  4.488
 ROA1   Fr= 1--      11.986                -56.581                -47.418
 CID1   Fr= 1--       4.708                 -0.755                -10.565
 Raman2 Fr= 1--       1.072                 10.863                  1.225
 ROA2   Fr= 1--       2.913                -13.019                -12.290
 CID2   Fr= 1--       2.718                 -1.198                -10.031
 Raman3 Fr= 1--       2.143                 21.726                  2.450
 ROA3   Fr= 1--      11.986                -56.581                -47.418
 CID3   Fr= 1--       5.592                 -2.604                -19.352
 RC180  Fr= 1--       0.684                 -0.420                  0.092
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.04   0.03  -0.01    -0.09  -0.00   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.04   0.00    -0.03  -0.01   0.00
     3   6     0.00   0.00  -0.00     0.04   0.02  -0.01    -0.00   0.03  -0.00
     4   6     0.00  -0.00  -0.00     0.02  -0.07   0.01    -0.12   0.06   0.01
     5   6    -0.00   0.00   0.00    -0.03  -0.01   0.00    -0.07   0.03   0.00
     6   6     0.00   0.00  -0.00     0.02   0.01  -0.00     0.06  -0.01  -0.00
     7   6     0.00   0.00  -0.00     0.07   0.08  -0.01     0.04  -0.04   0.00
     8   6    -0.00   0.00   0.00    -0.07  -0.01   0.00    -0.01  -0.02   0.00
     9   6    -0.00  -0.00   0.00    -0.07  -0.04   0.02    -0.04   0.01   0.00
    10   6     0.00   0.00  -0.00     0.01   0.06  -0.01     0.03   0.01  -0.00
    11   6     0.00  -0.00  -0.00     0.01  -0.01  -0.06     0.03  -0.01  -0.00
    12   8     0.00   0.01   0.06    -0.06   0.04   0.00     0.07  -0.06  -0.00
    13   6    -0.01  -0.01  -0.14     0.01  -0.06   0.01     0.01   0.09  -0.01
    14   1    -0.00  -0.00   0.01    -0.24  -0.22   0.05    -0.04  -0.02   0.01
    15   1    -0.00   0.00   0.01    -0.13   0.10   0.00     0.51  -0.18  -0.03
    16   1     0.00  -0.00  -0.00     0.20  -0.05  -0.01     0.39  -0.14  -0.03
    17   1     0.01  -0.00  -0.00     0.48  -0.07  -0.04     0.42  -0.18  -0.02
    18   1    -0.01  -0.01   0.00    -0.45  -0.31   0.09     0.03   0.01  -0.01
    19   1     0.01  -0.00  -0.00     0.18   0.00  -0.00     0.24  -0.07  -0.02
    20   1     0.00   0.00  -0.00     0.13   0.05  -0.07     0.08   0.02  -0.01
    21   6     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.01  -0.00   0.00
    22   6     0.00   0.00   0.00     0.00   0.05   0.02    -0.00   0.01   0.00
    23   1     0.03   0.03   0.28    -0.09   0.15  -0.01     0.19  -0.28   0.01
    24   1     0.41  -0.50   0.19     0.08  -0.02  -0.03    -0.17   0.05   0.06
    25   1    -0.37   0.53   0.17     0.10  -0.04   0.01    -0.17   0.04  -0.03
    26   1    -0.00  -0.00   0.00    -0.04  -0.04   0.07     0.03   0.01  -0.02
    27   1    -0.00  -0.00  -0.00    -0.04  -0.03  -0.02     0.03   0.02  -0.01
    28   1     0.00   0.00  -0.00     0.00   0.02  -0.09    -0.01  -0.02   0.03
    29   8    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00     0.02  -0.05   0.02     0.00  -0.01   0.00
    31   1    -0.00   0.01  -0.00    -0.07   0.29  -0.06    -0.01   0.03  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1189.3493              1199.0356              1206.7726
 Red. masses --      1.4858                 1.4665                 1.7066
 Frc consts  --      1.2383                 1.2422                 1.4643
 IR Inten    --     69.0476                74.3854                 8.7596
 RamAct Fr= 1--     12.5441                62.8606                 5.5386
  Dep-P Fr= 1--      0.6090                 0.1829                 0.3428
  Dep-U Fr= 1--      0.7570                 0.3092                 0.5106
 Alpha2 Fr= 1--      0.0326                 0.8929                 0.0498
 Beta2  Fr= 1--      1.5827                 3.2399                 0.4713
 AlphaG Fr= 1--     -0.0531                 0.9118                 0.0752
 Gamma2 Fr= 1--     -1.6325                 2.8757                 1.9414
 Delta2 Fr= 1--      1.1035                -3.0083                 0.8127
 Raman1 Fr= 1--      50.176                251.442                 22.154
 ROA1   Fr= 1--    -121.407                179.807                212.376
 CID1   Fr= 1--      -2.420                  0.715                  9.586
 Raman2 Fr= 1--      18.992                 38.879                  5.656
 ROA2   Fr= 1--     -48.007                 93.084                 40.091
 CID2   Fr= 1--      -2.528                  2.394                  7.089
 Raman3 Fr= 1--      37.984                 77.758                 11.311
 ROA3   Fr= 1--    -121.407                179.807                212.376
 CID3   Fr= 1--      -3.196                  2.312                 18.776
 RC180  Fr= 1--       0.514                 -0.382                  0.021
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03   0.00     0.04   0.01  -0.01     0.03   0.06  -0.01
     2   6    -0.03   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.03   0.00
     3   6    -0.03   0.02   0.00    -0.00   0.00  -0.00     0.01  -0.02   0.00
     4   6     0.02   0.01  -0.00     0.01   0.01  -0.00    -0.09   0.06   0.00
     5   6     0.03  -0.04   0.00    -0.02   0.01   0.00    -0.06   0.03   0.00
     6   6     0.02   0.02  -0.00     0.03  -0.02  -0.00     0.01  -0.03   0.00
     7   6    -0.03   0.00   0.00    -0.00   0.01  -0.00    -0.01  -0.05   0.01
     8   6     0.04   0.02  -0.01     0.00   0.03  -0.00     0.02  -0.02   0.00
     9   6    -0.02  -0.01   0.02    -0.09  -0.02   0.00     0.05   0.06  -0.01
    10   6     0.00  -0.01  -0.00     0.01  -0.01   0.00     0.03  -0.03  -0.00
    11   6    -0.03  -0.07  -0.04     0.07   0.06   0.02    -0.02  -0.05   0.00
    12   8    -0.02  -0.02   0.00    -0.03   0.02   0.00     0.05   0.04  -0.01
    13   6     0.04   0.03  -0.01    -0.00  -0.03   0.00    -0.10  -0.07   0.02
    14   1    -0.30  -0.20   0.05    -0.30  -0.24   0.05    -0.08  -0.10   0.02
    15   1    -0.15   0.07   0.01    -0.19   0.08   0.01     0.27  -0.12  -0.02
    16   1     0.28  -0.07  -0.02     0.39  -0.16  -0.02     0.09  -0.07  -0.00
    17   1    -0.37   0.13   0.03    -0.15   0.07   0.01    -0.09  -0.03   0.01
    18   1     0.34   0.27  -0.06     0.27   0.26  -0.07     0.20   0.12  -0.03
    19   1    -0.01  -0.01   0.02     0.35  -0.15  -0.05     0.06  -0.04   0.00
    20   1     0.04  -0.04  -0.09     0.17   0.11   0.04    -0.12  -0.10  -0.03
    21   6     0.03   0.03   0.03    -0.03  -0.04  -0.01     0.00   0.03   0.00
    22   6     0.01   0.08   0.03    -0.02  -0.06  -0.02     0.00   0.03   0.01
    23   1     0.13  -0.17   0.00    -0.08   0.12  -0.00    -0.37   0.50  -0.01
    24   1    -0.14   0.03   0.04     0.06  -0.02  -0.02     0.35  -0.06  -0.10
    25   1    -0.15   0.02  -0.02     0.06  -0.01   0.01     0.37  -0.04   0.04
    26   1    -0.05  -0.10   0.13     0.06   0.10  -0.12    -0.00  -0.06   0.05
    27   1    -0.05   0.00  -0.13     0.06  -0.01   0.12    -0.00   0.03  -0.10
    28   1     0.01  -0.02  -0.15    -0.02   0.03   0.13     0.00  -0.04  -0.04
    29   8    -0.02   0.02  -0.03     0.02  -0.02   0.02    -0.01   0.01  -0.02
    30   8     0.03  -0.07   0.03    -0.02   0.05  -0.03     0.01  -0.03   0.02
    31   1    -0.11   0.42  -0.08     0.09  -0.34   0.07    -0.05   0.19  -0.04
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1260.8625              1296.9268              1304.8106
 Red. masses --      1.8117                 1.7765                 2.7008
 Frc consts  --      1.6969                 1.7605                 2.7092
 IR Inten    --     74.2116                21.5172               247.5652
 RamAct Fr= 1--     34.6759                 3.9042                18.8760
  Dep-P Fr= 1--      0.2828                 0.1300                 0.1645
  Dep-U Fr= 1--      0.4409                 0.2301                 0.2826
 Alpha2 Fr= 1--      0.3742                 0.0635                 0.2812
 Beta2  Fr= 1--      2.5480                 0.1497                 0.8889
 AlphaG Fr= 1--      0.1568                 0.0187                -0.0843
 Gamma2 Fr= 1--      3.7563                -1.5413                -0.6523
 Delta2 Fr= 1--     -0.3026                 0.0635                -0.9761
 Raman1 Fr= 1--     138.704                 15.617                 75.504
 ROA1   Fr= 1--     350.920               -145.938                -93.860
 CID1   Fr= 1--       2.530                 -9.345                 -1.243
 Raman2 Fr= 1--      30.576                  1.796                 10.667
 ROA2   Fr= 1--      92.572                -37.500                 -7.847
 CID2   Fr= 1--       3.028                -20.876                 -0.736
 Raman3 Fr= 1--      61.152                  3.593                 21.334
 ROA3   Fr= 1--     350.920               -145.938                -93.860
 CID3   Fr= 1--       5.739                -40.621                 -4.399
 RC180  Fr= 1--      -0.118                 -0.540                 -0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02   0.01     0.03   0.05  -0.01     0.22   0.12  -0.03
     2   6    -0.02   0.03  -0.00     0.05  -0.00  -0.00     0.03   0.03  -0.01
     3   6    -0.04   0.04   0.00     0.05   0.04  -0.01     0.02  -0.04   0.00
     4   6    -0.03  -0.02   0.01    -0.07  -0.14   0.02    -0.11   0.11   0.00
     5   6     0.14  -0.10  -0.00    -0.08  -0.12   0.02     0.01   0.04  -0.01
     6   6     0.01   0.05  -0.01    -0.01   0.04  -0.00     0.00  -0.10   0.01
     7   6    -0.02   0.05  -0.00    -0.01   0.06  -0.01    -0.01  -0.03   0.00
     8   6     0.01   0.01  -0.00     0.03  -0.00  -0.00    -0.01  -0.04   0.01
     9   6    -0.08  -0.10   0.03    -0.02   0.02  -0.00     0.00  -0.00   0.00
    10   6    -0.01   0.04  -0.00     0.05   0.05  -0.01     0.02  -0.03  -0.00
    11   6    -0.03   0.02  -0.02     0.01   0.00   0.01    -0.02  -0.01  -0.01
    12   8     0.07   0.00  -0.01    -0.04  -0.01   0.00    -0.16  -0.02   0.02
    13   6    -0.05  -0.00   0.01     0.02  -0.00  -0.00     0.10  -0.02  -0.01
    14   1    -0.25  -0.15   0.04     0.03  -0.02  -0.00    -0.24  -0.20   0.04
    15   1     0.37  -0.13  -0.02     0.46  -0.12  -0.03     0.12  -0.07  -0.01
    16   1    -0.20   0.14   0.01    -0.44   0.20   0.02    -0.39   0.04   0.04
    17   1     0.21  -0.03  -0.02    -0.36   0.19   0.02     0.38  -0.18  -0.02
    18   1     0.18   0.15  -0.03     0.08   0.04  -0.01     0.27   0.18  -0.05
    19   1    -0.44   0.19   0.04     0.51  -0.12  -0.05    -0.33   0.10   0.03
    20   1     0.38   0.20   0.02    -0.01  -0.01  -0.02     0.09   0.04  -0.00
    21   6     0.03  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.00   0.00
    22   6     0.01  -0.01  -0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    23   1    -0.12   0.15  -0.00     0.04  -0.04  -0.00     0.09  -0.04  -0.01
    24   1     0.13  -0.02  -0.03    -0.06   0.01   0.01    -0.27   0.04   0.04
    25   1     0.14  -0.01   0.01    -0.06   0.01  -0.00    -0.28   0.04   0.00
    26   1    -0.05   0.03   0.01     0.01   0.02  -0.02    -0.01  -0.01   0.01
    27   1    -0.05  -0.05   0.07     0.02   0.01  -0.01    -0.03  -0.01   0.01
    28   1     0.01   0.05  -0.06    -0.01   0.03   0.00     0.01  -0.01  -0.02
    29   8     0.01  -0.01   0.02    -0.00   0.00  -0.00     0.00  -0.01   0.01
    30   8    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
    31   1     0.02  -0.10   0.02    -0.01   0.05  -0.01     0.02  -0.08   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1323.9740              1347.0919              1349.2066
 Red. masses --      1.8706                 1.4375                 2.1221
 Frc consts  --      1.9320                 1.5369                 2.2760
 IR Inten    --      2.3585                 3.7775                27.7952
 RamAct Fr= 1--     16.5829                 7.8851                 2.3385
  Dep-P Fr= 1--      0.3233                 0.7169                 0.6500
  Dep-U Fr= 1--      0.4887                 0.8351                 0.7879
 Alpha2 Fr= 1--      0.1584                 0.0045                 0.0042
 Beta2  Fr= 1--      1.3506                 1.0975                 0.3071
 AlphaG Fr= 1--      0.5209                 0.0465                 0.0301
 Gamma2 Fr= 1--      6.8345                -3.4379                -0.0482
 Delta2 Fr= 1--     -2.1851                 1.2391                 0.4571
 Raman1 Fr= 1--      66.332                 31.540                  9.354
 ROA1   Fr= 1--     586.186               -290.389                 10.004
 CID1   Fr= 1--       8.837                 -9.207                  1.069
 Raman2 Fr= 1--      16.207                 13.170                  3.685
 ROA2   Fr= 1--     181.509                -92.423                 -4.813
 CID2   Fr= 1--      11.199                 -7.018                 -1.306
 Raman3 Fr= 1--      32.414                 26.340                  7.370
 ROA3   Fr= 1--     586.186               -290.389                 10.004
 CID3   Fr= 1--      18.084                -11.025                  1.357
 RC180  Fr= 1--      -0.023                  0.670                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.02  -0.00    -0.02   0.01   0.00
     2   6     0.02  -0.03   0.00    -0.01   0.01  -0.00    -0.01   0.01   0.00
     3   6     0.04   0.01  -0.01    -0.02  -0.01   0.00    -0.01  -0.01   0.00
     4   6    -0.02  -0.02   0.00     0.01   0.01  -0.00     0.01  -0.01  -0.00
     5   6    -0.11   0.03   0.01     0.05  -0.01  -0.01     0.03  -0.01  -0.00
     6   6    -0.03   0.00   0.00     0.02  -0.01  -0.00     0.02   0.00  -0.00
     7   6    -0.01  -0.01   0.00     0.01  -0.00  -0.00     0.02   0.00  -0.00
     8   6     0.00   0.02  -0.01     0.00  -0.01  -0.00    -0.01  -0.01   0.00
     9   6     0.10  -0.03   0.01    -0.04   0.03   0.01    -0.03   0.03   0.00
    10   6     0.03   0.04  -0.01    -0.02  -0.03   0.00    -0.01  -0.02   0.00
    11   6    -0.16  -0.04  -0.08     0.05   0.00  -0.14     0.02  -0.04  -0.03
    12   8    -0.01   0.01   0.00     0.01  -0.01  -0.00     0.01  -0.00  -0.00
    13   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.22   0.12  -0.03    -0.12  -0.07   0.02    -0.07  -0.04   0.01
    15   1    -0.05   0.05   0.00     0.04  -0.04  -0.00     0.02  -0.03   0.00
    16   1     0.21  -0.09  -0.01    -0.12   0.05   0.01    -0.08   0.04   0.00
    17   1    -0.10   0.03   0.01    -0.02   0.01  -0.00    -0.04   0.03   0.00
    18   1     0.04   0.05   0.01    -0.06  -0.06   0.03    -0.05  -0.04   0.01
    19   1     0.02   0.06   0.01     0.07  -0.06   0.01     0.06  -0.04   0.02
    20   1     0.61   0.27   0.40    -0.18  -0.18   0.85    -0.27  -0.14  -0.39
    21   6     0.04   0.01   0.03    -0.04   0.06   0.04    -0.00  -0.02   0.04
    22   6     0.03   0.05   0.01    -0.01   0.00  -0.00     0.01   0.25   0.13
    23   1     0.01  -0.02   0.00     0.00   0.00  -0.00     0.00  -0.01   0.00
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1    -0.12   0.00   0.10     0.08  -0.13   0.10     0.04   0.11  -0.06
    27   1    -0.15  -0.06  -0.07     0.03   0.09  -0.17     0.00  -0.00  -0.15
    28   1     0.03  -0.01  -0.13    -0.02  -0.19   0.01    -0.01   0.03  -0.13
    29   8     0.02  -0.04   0.04     0.02  -0.02   0.02     0.01  -0.06   0.00
    30   8    -0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.03  -0.04  -0.07
    31   1     0.07  -0.32   0.06     0.01  -0.06   0.01     0.17  -0.73   0.11
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1389.2627              1403.3210              1412.6404
 Red. masses --      2.4601                 2.6046                 3.6615
 Frc consts  --      2.7975                 3.0221                 4.3050
 IR Inten    --     14.2226                13.1619                 1.4105
 RamAct Fr= 1--     89.2086                 4.2024               547.2440
  Dep-P Fr= 1--      0.1886                 0.1905                 0.2094
  Dep-U Fr= 1--      0.3173                 0.3201                 0.3462
 Alpha2 Fr= 1--      1.2486                 0.0585                 7.2485
 Beta2  Fr= 1--      4.7177                 0.2242                31.5803
 AlphaG Fr= 1--      0.2359                 0.0182                 1.9932
 Gamma2 Fr= 1--      2.8800                -1.1030                 3.2202
 Delta2 Fr= 1--      4.7189                -0.5049                -2.1602
 Raman1 Fr= 1--     356.835                 16.810               2188.976
 ROA1   Fr= 1--     427.485               -122.050                240.018
 CID1   Fr= 1--       1.198                 -7.261                  0.110
 Raman2 Fr= 1--      56.612                  2.690                378.963
 ROA2   Fr= 1--      31.368                -22.434                 94.567
 CID2   Fr= 1--       0.554                 -8.340                  0.250
 Raman3 Fr= 1--     113.224                  5.380                757.927
 ROA3   Fr= 1--     427.485               -122.050                240.018
 CID3   Fr= 1--       3.776                -22.686                  0.317
 RC180  Fr= 1--      -0.365                 -0.360                 -0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.19  -0.01    -0.06   0.03   0.00    -0.01  -0.06   0.01
     2   6    -0.06  -0.03   0.01    -0.12  -0.06   0.02     0.06   0.06  -0.01
     3   6    -0.00  -0.10   0.01     0.16  -0.05  -0.01    -0.10  -0.01   0.01
     4   6     0.04  -0.06   0.00    -0.06  -0.02   0.01     0.09   0.25  -0.03
     5   6     0.05   0.12  -0.02    -0.06  -0.04   0.01    -0.07  -0.23   0.03
     6   6     0.13  -0.06  -0.01     0.11   0.06  -0.02    -0.03   0.04  -0.00
     7   6     0.09  -0.03  -0.01     0.09   0.07  -0.02     0.14  -0.08  -0.01
     8   6    -0.02   0.04  -0.00    -0.13  -0.08   0.02    -0.11  -0.05   0.01
     9   6    -0.01   0.07  -0.00    -0.07   0.03   0.00    -0.06   0.18  -0.01
    10   6    -0.06  -0.06   0.01     0.14  -0.05  -0.01     0.08  -0.06  -0.00
    11   6    -0.04  -0.03   0.03     0.04   0.01  -0.01    -0.03  -0.03   0.01
    12   8     0.02  -0.03   0.00    -0.00   0.02  -0.00     0.02  -0.00  -0.00
    13   6     0.01   0.03  -0.00    -0.01   0.01   0.00    -0.01   0.00   0.00
    14   1    -0.26  -0.19   0.05     0.25   0.25  -0.05    -0.13  -0.09   0.02
    15   1     0.10  -0.16   0.01    -0.39   0.16   0.02    -0.19   0.02   0.02
    16   1    -0.21   0.07   0.01    -0.13   0.16  -0.00    -0.32   0.14   0.02
    17   1    -0.47   0.18   0.03     0.01   0.11  -0.01    -0.03  -0.01   0.00
    18   1    -0.32  -0.20   0.05     0.35   0.32  -0.07    -0.16  -0.09   0.03
    19   1    -0.07  -0.07   0.01    -0.40   0.15   0.03     0.22  -0.12  -0.01
    20   1     0.43   0.20  -0.12    -0.07  -0.04   0.04     0.48   0.21  -0.05
    21   6     0.02  -0.01  -0.02    -0.01   0.02  -0.01    -0.00  -0.04   0.04
    22   6     0.00  -0.02  -0.02    -0.00   0.00   0.00     0.00  -0.03  -0.02
    23   1     0.07  -0.09   0.00     0.07  -0.16   0.01    -0.02   0.03  -0.00
    24   1    -0.00  -0.02   0.04     0.10  -0.02  -0.00     0.01  -0.00  -0.00
    25   1    -0.01  -0.03  -0.03     0.10  -0.02  -0.01     0.01  -0.00  -0.00
    26   1    -0.05   0.01   0.01     0.02  -0.09   0.04     0.06   0.22  -0.14
    27   1    -0.05  -0.04   0.06    -0.02   0.00   0.08     0.08   0.01  -0.22
    28   1     0.02   0.01   0.01     0.01  -0.08   0.06    -0.04   0.15  -0.21
    29   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    30   8     0.00   0.01   0.01     0.00  -0.00   0.00     0.00   0.01   0.01
    31   1    -0.01   0.05  -0.01    -0.00   0.01  -0.00    -0.01   0.05  -0.01
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1418.6748              1456.8846              1479.8450
 Red. masses --      1.3078                 3.3322                 1.2094
 Frc consts  --      1.5508                 4.1671                 1.5604
 IR Inten    --      3.3840                 1.5734                 7.1192
 RamAct Fr= 1--     40.5472               180.4589                 6.0509
  Dep-P Fr= 1--      0.1984                 0.2448                 0.5593
  Dep-U Fr= 1--      0.3311                 0.3933                 0.7174
 Alpha2 Fr= 1--      0.5530                 2.1700                 0.0219
 Beta2  Fr= 1--      2.2376                11.8297                 0.7235
 AlphaG Fr= 1--      0.1628                 0.6057                 0.0089
 Gamma2 Fr= 1--     -1.4101                 8.3957                -0.6064
 Delta2 Fr= 1--      0.1964                -0.6014                 0.1096
 Raman1 Fr= 1--     162.189                721.836                 24.204
 ROA1   Fr= 1--    -129.088                786.746                -54.708
 CID1   Fr= 1--      -0.796                  1.090                 -2.260
 Raman2 Fr= 1--      26.851                141.956                  8.682
 ROA2   Fr= 1--     -35.415                206.309                -15.431
 CID2   Fr= 1--      -1.319                  1.453                 -1.777
 Raman3 Fr= 1--      53.701                283.912                 17.364
 ROA3   Fr= 1--    -129.088                786.746                -54.708
 CID3   Fr= 1--      -2.404                  2.771                 -3.151
 RC180  Fr= 1--      -0.338                 -0.213                  0.435
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.04  -0.15   0.01    -0.01  -0.01   0.00
     2   6     0.03   0.02  -0.00    -0.12   0.04   0.01    -0.05  -0.03   0.01
     3   6    -0.03   0.00   0.00     0.13   0.03  -0.02    -0.01   0.01   0.00
     4   6     0.03   0.04  -0.01    -0.17   0.01   0.02    -0.01  -0.01   0.00
     5   6    -0.01  -0.04   0.00     0.15  -0.01  -0.01     0.02  -0.00  -0.00
     6   6    -0.02   0.00   0.00     0.11   0.00  -0.01     0.01   0.03  -0.00
     7   6     0.02  -0.01  -0.00    -0.12  -0.01   0.01     0.03  -0.01  -0.00
     8   6    -0.02  -0.00   0.00     0.13  -0.04  -0.01    -0.00   0.01  -0.00
     9   6    -0.01   0.02  -0.00    -0.02   0.17  -0.01    -0.03   0.01   0.00
    10   6     0.01   0.00  -0.00    -0.13  -0.03   0.02     0.01  -0.02   0.00
    11   6    -0.00  -0.01  -0.00    -0.03  -0.05   0.01     0.00  -0.00  -0.00
    12   8     0.01  -0.00  -0.00    -0.02   0.04  -0.00     0.03  -0.01  -0.00
    13   6    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.07  -0.07  -0.00
    14   1    -0.05  -0.04   0.01     0.04   0.19  -0.02     0.16   0.13  -0.03
    15   1     0.02  -0.02  -0.00    -0.31   0.23   0.01     0.04  -0.01  -0.00
    16   1    -0.04   0.01   0.00    -0.20   0.13   0.01     0.09   0.00  -0.01
    17   1     0.00  -0.00  -0.00     0.19  -0.14  -0.00    -0.08   0.04   0.00
    18   1    -0.03  -0.01   0.00    -0.07  -0.23   0.03    -0.06  -0.04   0.01
    19   1     0.10  -0.04  -0.01     0.42  -0.25  -0.02    -0.06   0.01   0.01
    20   1     0.02   0.00  -0.06     0.38   0.14  -0.06     0.03   0.01  -0.01
    21   6     0.03   0.07  -0.11     0.01   0.00  -0.02    -0.00   0.00  -0.00
    22   6     0.00   0.04   0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
    23   1    -0.01   0.02  -0.00    -0.00  -0.04   0.00    -0.23   0.52  -0.03
    24   1    -0.01   0.00   0.00     0.07   0.02  -0.04    -0.44   0.27  -0.15
    25   1    -0.01   0.00   0.00     0.07   0.03   0.03    -0.41   0.30   0.18
    26   1    -0.23  -0.43   0.30    -0.07  -0.02   0.03     0.04  -0.02  -0.00
    27   1    -0.23  -0.08   0.51    -0.04  -0.02   0.03     0.01   0.00   0.03
    28   1     0.10  -0.26   0.47     0.02  -0.01   0.07    -0.00  -0.01  -0.03
    29   8     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.02  -0.08   0.01     0.00  -0.01   0.00    -0.00  -0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1494.9600              1495.6971              1502.6655
 Red. masses --      1.0488                 1.0467                 1.0524
 Frc consts  --      1.3810                 1.3796                 1.4001
 IR Inten    --      9.7971                 7.7628                12.0344
 RamAct Fr= 1--      4.5327                10.1645                 6.5098
  Dep-P Fr= 1--      0.7419                 0.7498                 0.4917
  Dep-U Fr= 1--      0.8518                 0.8570                 0.6593
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0334
 Beta2  Fr= 1--      0.6435                 1.4519                 0.7153
 AlphaG Fr= 1--      0.0085                 0.0030                 0.2518
 Gamma2 Fr= 1--      0.5079                 0.1992                 2.8894
 Delta2 Fr= 1--     -0.9214                 0.1650                 1.8669
 Raman1 Fr= 1--      18.131                 40.658                 26.039
 ROA1   Fr= 1--      19.278                 24.404                337.120
 CID1   Fr= 1--       1.063                  0.600                 12.947
 Raman2 Fr= 1--       7.722                 17.423                  8.584
 ROA2   Fr= 1--      19.562                  3.460                 54.410
 CID2   Fr= 1--       2.533                  0.199                  6.339
 Raman3 Fr= 1--      15.444                 34.846                 17.167
 ROA3   Fr= 1--      19.278                 24.404                337.120
 CID3   Fr= 1--       1.248                  0.700                 19.637
 RC180  Fr= 1--       0.704                  0.714                  0.319
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   6     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.02
    12   8    -0.01   0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    13   6    -0.01   0.00  -0.00    -0.01  -0.01  -0.06    -0.00  -0.00   0.00
    14   1     0.01   0.00  -0.00    -0.00  -0.00  -0.02     0.00   0.00  -0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.02  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.02   0.00   0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    18   1    -0.03  -0.03   0.01     0.00   0.00   0.00    -0.01  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01   0.02
    20   1     0.05   0.05  -0.05    -0.00  -0.00   0.00     0.02  -0.01   0.05
    21   6    -0.04   0.02   0.01     0.00  -0.00  -0.00    -0.03  -0.04  -0.02
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.02   0.01
    23   1     0.02  -0.04   0.01     0.07   0.07   0.71     0.00  -0.01  -0.00
    24   1     0.03  -0.01   0.01    -0.47  -0.05   0.13     0.00   0.01  -0.01
    25   1     0.04  -0.01  -0.01     0.48   0.06   0.01     0.00   0.01   0.00
    26   1     0.60  -0.35  -0.06    -0.01   0.01   0.00    -0.15  -0.30   0.20
    27   1     0.13   0.06   0.46    -0.00  -0.00  -0.01     0.61   0.24   0.07
    28   1    -0.05  -0.12  -0.49     0.00   0.00   0.01    -0.06   0.62   0.13
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.9339              1524.3811              1547.5136
 Red. masses --      1.0601                 2.3928                 3.5057
 Frc consts  --      1.4184                 3.2760                 4.9464
 IR Inten    --     47.9664                21.1815                75.5772
 RamAct Fr= 1--     14.9779               124.0614                 6.8209
  Dep-P Fr= 1--      0.4607                 0.2592                 0.2039
  Dep-U Fr= 1--      0.6308                 0.4117                 0.3388
 Alpha2 Fr= 1--      0.0879                 1.4327                 0.0917
 Beta2  Fr= 1--      1.5746                 8.5128                 0.3851
 AlphaG Fr= 1--      0.0082                 0.5254                 0.0135
 Gamma2 Fr= 1--      0.6697                 2.3752                -0.9614
 Delta2 Fr= 1--      0.1127                -0.6378                -0.1160
 Raman1 Fr= 1--      59.912                496.246                 27.284
 ROA1   Fr= 1--      67.897                207.605                -96.005
 CID1   Fr= 1--       1.133                  0.418                 -3.519
 Raman2 Fr= 1--      18.895                102.154                  4.621
 ROA2   Fr= 1--      15.171                 62.107                -22.145
 CID2   Fr= 1--       0.803                  0.608                 -4.792
 Raman3 Fr= 1--      37.790                204.308                  9.243
 ROA3   Fr= 1--      67.897                207.605                -96.005
 CID3   Fr= 1--       1.797                  1.016                -10.387
 RC180  Fr= 1--       0.262                 -0.177                 -0.322
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.00     0.14  -0.02  -0.01     0.08   0.17  -0.03
     2   6     0.00  -0.00   0.00    -0.05  -0.06   0.01    -0.06  -0.16   0.02
     3   6    -0.01   0.00   0.00    -0.03   0.05  -0.00    -0.10  -0.03   0.01
     4   6    -0.00   0.00  -0.00    -0.13   0.04   0.01     0.12  -0.06  -0.01
     5   6     0.00  -0.00  -0.00     0.08  -0.02  -0.01     0.14  -0.06  -0.01
     6   6    -0.01   0.00   0.00    -0.08   0.05   0.00    -0.14   0.12   0.00
     7   6     0.01  -0.01  -0.00     0.11  -0.09  -0.00    -0.09   0.10  -0.00
     8   6     0.00   0.01  -0.00     0.06   0.10  -0.02    -0.05  -0.13   0.02
     9   6    -0.01  -0.01   0.00    -0.13  -0.02   0.01     0.01   0.18  -0.02
    10   6     0.00  -0.00  -0.00     0.07  -0.04  -0.00    -0.05  -0.06   0.01
    11   6     0.00   0.00  -0.00     0.03   0.00  -0.00    -0.01  -0.03   0.00
    12   8    -0.02  -0.01   0.00    -0.05   0.01   0.00    -0.03  -0.02   0.00
    13   6    -0.03  -0.04   0.01    -0.02   0.03  -0.00    -0.01   0.02  -0.00
    14   1    -0.00  -0.01   0.00     0.30   0.21  -0.05     0.39   0.18  -0.06
    15   1     0.04  -0.02  -0.00     0.15  -0.01  -0.01     0.24  -0.17  -0.01
    16   1     0.02  -0.01  -0.00     0.28  -0.08  -0.02     0.45  -0.10  -0.04
    17   1    -0.04   0.01   0.00    -0.41   0.10   0.03     0.31  -0.05  -0.03
    18   1    -0.03  -0.02   0.01    -0.38  -0.25   0.06     0.25   0.10  -0.04
    19   1    -0.02   0.01   0.00    -0.26   0.08   0.02     0.14  -0.14  -0.00
    20   1    -0.01  -0.00   0.00     0.01  -0.00   0.00     0.18   0.06  -0.02
    21   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00  -0.00
    23   1     0.14  -0.36   0.03     0.05  -0.13   0.01     0.06  -0.12   0.00
    24   1     0.17   0.44  -0.44     0.13  -0.18   0.13     0.07  -0.06   0.04
    25   1     0.25   0.52   0.30     0.10  -0.20  -0.12     0.06  -0.07  -0.05
    26   1    -0.01   0.01  -0.00    -0.08   0.04   0.01    -0.00  -0.00  -0.00
    27   1    -0.01  -0.01  -0.01    -0.04  -0.01  -0.05     0.01   0.00  -0.00
    28   1     0.00  -0.01   0.01     0.01  -0.01   0.08    -0.00   0.01   0.00
    29   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1609.1984              1652.2589              1676.2956
 Red. masses --      6.8291                 5.6802                 6.3361
 Frc consts  --     10.4192                 9.1364                10.4900
 IR Inten    --      5.9389                99.5114                67.2266
 RamAct Fr= 1--     73.2890                 9.7263               362.6809
  Dep-P Fr= 1--      0.6142                 0.7219                 0.3700
  Dep-U Fr= 1--      0.7610                 0.8385                 0.5402
 Alpha2 Fr= 1--      0.1827                 0.0047                 2.9803
 Beta2  Fr= 1--      9.2954                 1.3592                32.6524
 AlphaG Fr= 1--      0.1946                 0.0471                 2.6661
 Gamma2 Fr= 1--      3.6450                 0.1605                24.4520
 Delta2 Fr= 1--     -3.1057                -1.2703                -2.3817
 Raman1 Fr= 1--     293.156                 38.905               1450.724
 ROA1   Fr= 1--     250.534                -25.239               2271.179
 CID1   Fr= 1--       0.855                 -0.649                  1.566
 Raman2 Fr= 1--     111.544                 16.310                391.829
 ROA2   Fr= 1--     112.325                 14.014                605.902
 CID2   Fr= 1--       1.007                  0.859                  1.546
 Raman3 Fr= 1--     223.089                 32.621                783.658
 ROA3   Fr= 1--     250.534                -25.239               2271.179
 CID3   Fr= 1--       1.123                 -0.774                  2.898
 RC180  Fr= 1--       0.522                  0.677                  0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.24   0.02    -0.20   0.13   0.01    -0.15   0.11   0.00
     2   6     0.20   0.17  -0.04     0.20   0.03  -0.02     0.17   0.01  -0.02
     3   6    -0.06   0.16  -0.01     0.20  -0.13  -0.01     0.23  -0.11  -0.01
     4   6    -0.08  -0.27   0.04    -0.01   0.00   0.00    -0.25   0.07   0.02
     5   6     0.07   0.27  -0.03    -0.03  -0.02   0.01     0.25  -0.09  -0.02
     6   6    -0.15  -0.09   0.02    -0.20   0.02   0.02    -0.24   0.06   0.02
     7   6     0.14   0.09  -0.02    -0.23   0.01   0.02     0.22  -0.05  -0.02
     8   6    -0.17  -0.15   0.03     0.24   0.06  -0.03    -0.16  -0.03   0.02
     9   6    -0.05   0.24  -0.02    -0.20   0.11   0.01     0.13  -0.08  -0.00
    10   6     0.10  -0.17   0.01     0.21  -0.12  -0.01    -0.21   0.10   0.01
    11   6     0.00  -0.02   0.00     0.02  -0.02  -0.00    -0.01   0.01   0.00
    12   8     0.00   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01   0.00
    13   6    -0.01  -0.01   0.00     0.02  -0.00  -0.00     0.02  -0.01  -0.00
    14   1    -0.25  -0.19   0.04    -0.16  -0.27   0.04    -0.08  -0.19   0.03
    15   1     0.23   0.05  -0.03    -0.29   0.05   0.02    -0.31   0.10   0.02
    16   1     0.11  -0.20   0.01     0.17  -0.13  -0.00     0.29  -0.15  -0.02
    17   1    -0.13   0.20  -0.01     0.18  -0.17  -0.00    -0.25   0.14   0.01
    18   1     0.18   0.15  -0.03    -0.19  -0.31   0.05     0.09   0.18  -0.03
    19   1    -0.33  -0.02   0.04    -0.33   0.07   0.03     0.33  -0.10  -0.03
    20   1     0.19   0.06  -0.01     0.12   0.03  -0.01    -0.08  -0.02   0.01
    21   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.00  -0.00  -0.00    -0.01   0.02  -0.01     0.01  -0.01   0.01
    23   1    -0.03   0.03   0.00     0.01   0.03  -0.00     0.01   0.02  -0.00
    24   1     0.01   0.01  -0.02    -0.06   0.05  -0.04    -0.05   0.04  -0.03
    25   1     0.01   0.01   0.01    -0.05   0.06   0.04    -0.04   0.05   0.03
    26   1    -0.02   0.01  -0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    27   1     0.02   0.01  -0.03    -0.00   0.00  -0.01    -0.01  -0.00   0.01
    28   1    -0.00   0.02   0.02     0.01  -0.00   0.03    -0.00  -0.01  -0.02
    29   8     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.00   0.01  -0.01
    30   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1808.2370              3008.3383              3045.5832
 Red. masses --      9.5572                 1.0348                 1.0364
 Frc consts  --     18.4116                 5.5175                 5.6638
 IR Inten    --    361.2354                68.5769                29.1135
 RamAct Fr= 1--     32.1378               274.1183               277.2707
  Dep-P Fr= 1--      0.1797                 0.0478                 0.0843
  Dep-U Fr= 1--      0.3046                 0.0913                 0.1555
 Alpha2 Fr= 1--      0.4603                 5.4427                 5.0439
 Beta2  Fr= 1--      1.6318                 4.1708                 7.1851
 AlphaG Fr= 1--      0.1527                 0.6225                -1.7015
 Gamma2 Fr= 1--      3.9380                 1.0991                -1.4818
 Delta2 Fr= 1--     -4.4140                -1.1859                 0.3316
 Raman1 Fr= 1--     128.551               1096.473               1109.083
 ROA1   Fr= 1--     236.797                 67.561               -131.639
 CID1   Fr= 1--       1.842                  0.062                 -0.119
 Raman2 Fr= 1--      19.581                 50.050                 86.222
 ROA2   Fr= 1--     129.824                 35.865                -38.216
 CID2   Fr= 1--       6.630                  0.717                 -0.443
 Raman3 Fr= 1--      39.162                100.100                172.443
 ROA3   Fr= 1--     236.797                 67.561               -131.639
 CID3   Fr= 1--       6.047                  0.675                 -0.763
 RC180  Fr= 1--      -0.391                 -0.817                 -0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.01   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   6     0.01   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     9   6    -0.03   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   6     0.02  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.03   0.01  -0.07    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    13   6    -0.00   0.00  -0.00    -0.01   0.05  -0.00     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.02   0.02  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.02   0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.04   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    20   1     0.13   0.03   0.22     0.00  -0.00  -0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.03  -0.01   0.04
    22   6     0.33  -0.31   0.54     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.26   0.13  -0.04    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.12  -0.42  -0.51     0.00   0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.01  -0.32   0.60     0.00   0.00  -0.00
    26   1    -0.02  -0.02   0.00    -0.00  -0.00  -0.00    -0.21  -0.27  -0.46
    27   1    -0.01  -0.00   0.00    -0.00   0.00   0.00    -0.17   0.39   0.03
    28   1     0.00  -0.01   0.03     0.00   0.00  -0.00     0.69   0.05  -0.05
    29   8    -0.20   0.22  -0.33    -0.00   0.00  -0.00     0.00   0.00   0.00
    30   8    -0.03   0.03  -0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    31   1     0.11  -0.46   0.08    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3064.1576              3083.8909              3106.9101
 Red. masses --      1.1058                 1.0851                 1.1020
 Frc consts  --      6.1174                 6.0800                 6.2673
 IR Inten    --     36.5745                 4.6656                28.2040
 RamAct Fr= 1--     86.9220                71.2273               121.9548
  Dep-P Fr= 1--      0.7500                 0.1913                 0.6922
  Dep-U Fr= 1--      0.8571                 0.3211                 0.8181
 Alpha2 Fr= 1--      0.0000                 0.9899                 0.1234
 Beta2  Fr= 1--     12.4171                 3.8118                16.6290
 AlphaG Fr= 1--      0.0312                 0.3746                 0.3825
 Gamma2 Fr= 1--      2.6099                -3.3289                -4.8332
 Delta2 Fr= 1--      2.2148                -0.5961                 1.4576
 Raman1 Fr= 1--     347.688                284.909                487.819
 ROA1   Fr= 1--     321.423               -338.646               -417.348
 CID1   Fr= 1--       0.924                 -1.189                 -0.856
 Raman2 Fr= 1--     149.006                 45.742                199.548
 ROA2   Fr= 1--      44.919                -75.124               -127.658
 CID2   Fr= 1--       0.301                 -1.642                 -0.640
 Raman3 Fr= 1--     298.011                 91.484                399.096
 ROA3   Fr= 1--     321.423               -338.646               -417.348
 CID3   Fr= 1--       1.079                 -3.702                 -1.046
 RC180  Fr= 1--       0.714                 -0.358                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.00   0.00  -0.00
    12   8     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.01  -0.01  -0.09     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.02  -0.02  -0.00    -0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.40   0.88   0.07     0.03  -0.06  -0.00
    21   6     0.00   0.00  -0.00    -0.01   0.02   0.00    -0.08  -0.02  -0.04
    22   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1    -0.00  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.14   0.46   0.52    -0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1    -0.03  -0.34   0.61     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.01  -0.01  -0.02     0.24   0.33   0.57
    27   1     0.00  -0.00  -0.00     0.08  -0.19  -0.01     0.05  -0.16  -0.02
    28   1    -0.00  -0.00   0.00     0.07   0.01  -0.00     0.68   0.05  -0.06
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3131.1859              3134.4976              3165.8144
 Red. masses --      1.1003                 1.0988                 1.0863
 Frc consts  --      6.3562                 6.3604                 6.4146
 IR Inten    --     15.2651                25.1774                 3.9294
 RamAct Fr= 1--     27.0400               183.0139                65.4620
  Dep-P Fr= 1--      0.5191                 0.4319                 0.7264
  Dep-U Fr= 1--      0.6834                 0.6032                 0.8415
 Alpha2 Fr= 1--      0.1218                 1.2049                 0.0266
 Beta2  Fr= 1--      3.0800                18.3993                 9.1810
 AlphaG Fr= 1--     -0.2269                -0.1876                -0.0581
 Gamma2 Fr= 1--     -0.9435                -0.6536                -3.3459
 Delta2 Fr= 1--     -0.9492                -0.9146                 1.9756
 Raman1 Fr= 1--     108.160                732.056                261.848
 ROA1   Fr= 1--    -120.953                -92.013               -257.990
 CID1   Fr= 1--      -1.118                 -0.126                 -0.985
 Raman2 Fr= 1--      36.960                220.792                110.172
 ROA2   Fr= 1--     -15.051                 -8.369                -96.108
 CID2   Fr= 1--      -0.407                 -0.038                 -0.872
 Raman3 Fr= 1--      73.920                441.584                220.345
 ROA3   Fr= 1--    -120.953                -92.013               -257.990
 CID3   Fr= 1--      -1.636                 -0.208                 -1.171
 RC180  Fr= 1--       0.367                  0.206                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.06   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.04   0.05  -0.00
     9   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01  -0.02  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.07  -0.05   0.01    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.02  -0.02   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.05   0.01
    16   1     0.00   0.00  -0.00     0.00   0.01  -0.00     0.00   0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.24   0.65  -0.09
    18   1     0.01  -0.02   0.00     0.00  -0.00   0.00     0.45  -0.54   0.02
    19   1    -0.02  -0.06   0.01     0.00  -0.00   0.00     0.01   0.02  -0.00
    20   1    -0.08   0.19   0.01    -0.00   0.00   0.00     0.01  -0.03  -0.00
    21   6     0.03  -0.08  -0.03     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   1    -0.01  -0.00   0.00     0.86   0.41  -0.13     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00     0.03   0.11   0.15     0.00   0.00   0.00
    25   1     0.00  -0.00   0.00    -0.01   0.08  -0.17    -0.00   0.00  -0.00
    26   1     0.15   0.18   0.33     0.00   0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.34   0.79   0.03    -0.00   0.01   0.00     0.00  -0.01  -0.00
    28   1    -0.19  -0.03   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3170.2965              3179.4823              3182.8696
 Red. masses --      1.0890                 1.0894                 1.0944
 Frc consts  --      6.4490                 6.4887                 6.5322
 IR Inten    --      5.3200                11.0683                11.4679
 RamAct Fr= 1--     44.4395                53.3653               131.9095
  Dep-P Fr= 1--      0.4670                 0.4190                 0.1908
  Dep-U Fr= 1--      0.6367                 0.5906                 0.3205
 Alpha2 Fr= 1--      0.2540                 0.3688                 1.8353
 Beta2  Fr= 1--      4.7155                 5.2528                 7.0456
 AlphaG Fr= 1--      0.0668                 0.2212                -0.4964
 Gamma2 Fr= 1--      0.9242                 4.7603                -3.2546
 Delta2 Fr= 1--     -0.6236                 1.8890                -0.9838
 Raman1 Fr= 1--     177.758                213.461                527.638
 ROA1   Fr= 1--      68.771                517.438               -343.918
 CID1   Fr= 1--       0.387                  2.424                 -0.652
 Raman2 Fr= 1--      56.586                 63.033                 84.547
 ROA2   Fr= 1--      27.170                 99.136                -70.239
 CID2   Fr= 1--       0.480                  1.573                 -0.831
 Raman3 Fr= 1--     113.171                126.067                169.094
 ROA3   Fr= 1--      68.771                517.438               -343.918
 CID3   Fr= 1--       0.608                  4.104                 -2.034
 RC180  Fr= 1--       0.273                  0.181                 -0.359
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.02  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.03  -0.08   0.01    -0.01  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.02  -0.05   0.01
     8   6    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.04  -0.04   0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   6     0.01   0.01  -0.00    -0.03  -0.08   0.01     0.00   0.02  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.11  -0.15   0.00     0.03  -0.03   0.00    -0.00   0.01  -0.00
    15   1     0.02   0.05  -0.01     0.00   0.01  -0.00    -0.11  -0.29   0.04
    16   1     0.33   0.89  -0.12     0.06   0.17  -0.02    -0.00  -0.01   0.00
    17   1    -0.00  -0.00   0.00     0.04   0.11  -0.02     0.23   0.60  -0.09
    18   1     0.01  -0.01   0.00    -0.10   0.12  -0.00    -0.42   0.51  -0.01
    19   1    -0.06  -0.17   0.02     0.33   0.89  -0.11    -0.06  -0.17   0.02
    20   1     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.01   0.02   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.01  -0.01   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.01    -0.00  -0.00  -0.00
    27   1     0.01  -0.01  -0.00    -0.02   0.06   0.00     0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    29   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3186.9783              3214.7815              3728.7439
 Red. masses --      1.0905                 1.0911                 1.0641
 Frc consts  --      6.5260                 6.6438                 8.7165
 IR Inten    --      7.7096                 7.8298                69.0306
 RamAct Fr= 1--    199.9379               136.9182               147.1824
  Dep-P Fr= 1--      0.2057                 0.2285                 0.2487
  Dep-U Fr= 1--      0.3413                 0.3720                 0.3983
 Alpha2 Fr= 1--      2.6741                 1.7222                 1.7509
 Beta2  Fr= 1--     11.3718                 8.4888                 9.7703
 AlphaG Fr= 1--     -0.4885                 0.2704                 0.9372
 Gamma2 Fr= 1--     -1.9800                 1.8687                13.3855
 Delta2 Fr= 1--     -0.6792                 0.3742                -3.5608
 Raman1 Fr= 1--     799.752                547.673                588.730
 ROA1   Fr= 1--    -211.812                191.371               1171.058
 CID1   Fr= 1--      -0.265                  0.349                  1.989
 Raman2 Fr= 1--     136.462                101.865                117.244
 ROA2   Fr= 1--     -42.086                 41.855                349.737
 CID2   Fr= 1--      -0.308                  0.411                  2.983
 Raman3 Fr= 1--     272.923                203.730                234.487
 ROA3   Fr= 1--    -211.812                191.371               1171.058
 CID3   Fr= 1--      -0.776                  0.939                  4.994
 RC180  Fr= 1--      -0.317                 -0.256                 -0.203
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.05  -0.07   0.00     0.00   0.00  -0.00
     3   6    -0.03  -0.08   0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     7   6    -0.01  -0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00    -0.61   0.76  -0.01     0.00  -0.00   0.00
    15   1     0.34   0.87  -0.12     0.00   0.01  -0.00     0.00   0.00  -0.00
    16   1    -0.02  -0.05   0.01     0.07   0.17  -0.02    -0.00  -0.00   0.00
    17   1     0.08   0.23  -0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1    -0.11   0.14  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.02  -0.05   0.01     0.00   0.01  -0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00  -0.00   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    24   1    -0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    29   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    30   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.02  -0.02  -0.05
    31   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.36   0.31   0.88

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  8 and mass  15.99491
 Atom    30 has atomic number  8 and mass  15.99491
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1413.160478595.740719106.36968
           X            0.99993  -0.00576  -0.01068
           Y            0.00565   0.99993  -0.00995
           Z            0.01074   0.00989   0.99989
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06129     0.01008     0.00951
 Rotational constants (GHZ):           1.27710     0.20996     0.19818
 Zero-point vibrational energy     658224.9 (Joules/Mol)
                                  157.31952 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     19.83    56.16    70.94   107.33   166.62
          (Kelvin)            200.39   262.35   281.43   332.49   334.59
                              357.15   390.95   438.01   504.56   566.93
                              600.01   608.45   673.54   695.19   769.98
                              801.93   831.46   858.12   888.37   915.95
                              985.55   995.54  1090.27  1120.35  1150.92
                             1172.59  1176.94  1211.72  1225.38  1289.66
                             1319.38  1348.13  1366.16  1384.07  1410.83
                             1457.92  1531.50  1541.18  1591.44  1668.92
                             1687.19  1688.63  1708.79  1711.21  1725.14
                             1736.28  1814.10  1865.99  1877.33  1904.90
                             1938.16  1941.21  1998.84  2019.07  2032.47
                             2041.16  2096.13  2129.17  2150.91  2151.97
                             2162.00  2168.14  2193.24  2226.53  2315.28
                             2377.23  2411.82  2601.65  4328.33  4381.91
                             4408.64  4437.03  4470.15  4505.08  4509.84
                             4554.90  4561.35  4574.57  4579.44  4585.35
                             4625.35  5364.83
 
 Zero-point correction=                           0.250705 (Hartree/Particle)
 Thermal correction to Energy=                    0.266022
 Thermal correction to Enthalpy=                  0.266966
 Thermal correction to Gibbs Free Energy=         0.206297
 Sum of electronic and zero-point Energies=           -767.722578
 Sum of electronic and thermal Energies=              -767.707261
 Sum of electronic and thermal Enthalpies=            -767.706317
 Sum of electronic and thermal Free Energies=         -767.766985
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.931             58.703            127.688
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.070
 Vibrational            165.154             52.741             52.416
 Vibration     1          0.593              1.986              7.374
 Vibration     2          0.594              1.981              5.308
 Vibration     3          0.595              1.978              4.845
 Vibration     4          0.599              1.966              4.028
 Vibration     5          0.608              1.936              3.169
 Vibration     6          0.615              1.914              2.814
 Vibration     7          0.630              1.864              2.304
 Vibration     8          0.636              1.846              2.174
 Vibration     9          0.653              1.793              1.870
 Vibration    10          0.653              1.791              1.859
 Vibration    11          0.662              1.766              1.743
 Vibration    12          0.675              1.725              1.585
 Vibration    13          0.695              1.665              1.392
 Vibration    14          0.728              1.574              1.163
 Vibration    15          0.761              1.483              0.985
 Vibration    16          0.780              1.433              0.902
 Vibration    17          0.785              1.420              0.882
 Vibration    18          0.825              1.321              0.743
 Vibration    19          0.839              1.287              0.702
 Vibration    20          0.890              1.172              0.576
 Vibration    21          0.913              1.124              0.529
 Vibration    22          0.934              1.079              0.489
 Vibration    23          0.954              1.039              0.456
 Vibration    24          0.977              0.995              0.421
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.128798D-94        -94.890089       -218.492505
 Total V=0       0.266640D+21         20.425925         47.032431
 Vib (Bot)       0.249369-109       -109.603158       -252.370597
 Vib (Bot)    1  0.150337D+02          1.177067          2.710297
 Vib (Bot)    2  0.530147D+01          0.724397          1.667985
 Vib (Bot)    3  0.419277D+01          0.622501          1.433362
 Vib (Bot)    4  0.276301D+01          0.441382          1.016320
 Vib (Bot)    5  0.176635D+01          0.247078          0.568917
 Vib (Bot)    6  0.146018D+01          0.164406          0.378558
 Vib (Bot)    7  0.110062D+01          0.041636          0.095870
 Vib (Bot)    8  0.102106D+01          0.009052          0.020843
 Vib (Bot)    9  0.851884D+00         -0.069620         -0.160305
 Vib (Bot)   10  0.845994D+00         -0.072633         -0.167243
 Vib (Bot)   11  0.786894D+00         -0.104084         -0.239662
 Vib (Bot)   12  0.710607D+00         -0.148371         -0.341636
 Vib (Bot)   13  0.623134D+00         -0.205419         -0.472994
 Vib (Bot)   14  0.525876D+00         -0.279117         -0.642690
 Vib (Bot)   15  0.454303D+00         -0.342654         -0.788990
 Vib (Bot)   16  0.422007D+00         -0.374680         -0.862733
 Vib (Bot)   17  0.414287D+00         -0.382699         -0.881196
 Vib (Bot)   18  0.360874D+00         -0.442644         -1.019226
 Vib (Bot)   19  0.345193D+00         -0.461939         -1.063653
 Vib (Bot)   20  0.297404D+00         -0.526653         -1.212664
 Vib (Bot)   21  0.279563D+00         -0.553520         -1.274527
 Vib (Bot)   22  0.264239D+00         -0.578003         -1.330900
 Vib (Bot)   23  0.251279D+00         -0.599845         -1.381193
 Vib (Bot)   24  0.237484D+00         -0.624365         -1.437653
 Vib (V=0)       0.516246D+06          5.712857         13.154339
 Vib (V=0)    1  0.155421D+02          1.191508          2.743549
 Vib (V=0)    2  0.582500D+01          0.765296          1.762159
 Vib (V=0)    3  0.472248D+01          0.674170          1.552334
 Vib (V=0)    4  0.330788D+01          0.519550          1.196308
 Vib (V=0)    5  0.233576D+01          0.368428          0.848336
 Vib (V=0)    6  0.204341D+01          0.310356          0.714621
 Vib (V=0)    7  0.170887D+01          0.232708          0.535830
 Vib (V=0)    8  0.163691D+01          0.214025          0.492811
 Vib (V=0)    9  0.148778D+01          0.172538          0.397284
 Vib (V=0)   10  0.148270D+01          0.171054          0.393867
 Vib (V=0)   11  0.143231D+01          0.156037          0.359289
 Vib (V=0)   12  0.136889D+01          0.136367          0.313997
 Vib (V=0)   13  0.129893D+01          0.113587          0.261544
 Vib (V=0)   14  0.122563D+01          0.088361          0.203459
 Vib (V=0)   15  0.117557D+01          0.070248          0.161751
 Vib (V=0)   16  0.115429D+01          0.062313          0.143482
 Vib (V=0)   17  0.114933D+01          0.060446          0.139182
 Vib (V=0)   18  0.111663D+01          0.047909          0.110313
 Vib (V=0)   19  0.110758D+01          0.044377          0.102181
 Vib (V=0)   20  0.108176D+01          0.034132          0.078593
 Vib (V=0)   21  0.107285D+01          0.030538          0.070317
 Vib (V=0)   22  0.106553D+01          0.027565          0.063471
 Vib (V=0)   23  0.105959D+01          0.025138          0.057882
 Vib (V=0)   24  0.105353D+01          0.022648          0.052149
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.376492D+07          6.575756         15.141237
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2111111110000                             866655554444444333332221111111000999998888887766665555444433322221111    
     2            1887763308640                             0750420099851108442096098877607618653195411075983197538621950743398317431
     9            5739064174468                             8629847365079339974571799843061431207762285098257768753837414283162965994
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                    X XXX                             XXX X X         X  X X XXXX X XXX     X           XX                     
     X                        X                             XXX X X            X X XXXX   XX                  X                      
     X                        X                             XXX X              X X XX                                                
                                                            X X                X                                                     
                                                            X X                X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                  X                                                     
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000389    0.000001424   -0.000000038
      2        6           0.000000144   -0.000000742   -0.000000096
      3        6          -0.000001098   -0.000000526    0.000000059
      4        6           0.000000500    0.000000285    0.000000187
      5        6           0.000000395    0.000000199   -0.000000347
      6        6          -0.000000318   -0.000000418    0.000000172
      7        6          -0.000001379   -0.000001039    0.000000095
      8        6           0.000000228    0.000000638    0.000000125
      9        6          -0.000000186    0.000000675   -0.000000349
     10        6          -0.000000081   -0.000000802    0.000000272
     11        6           0.000000188   -0.000000131    0.000000473
     12        8          -0.000000119    0.000000109   -0.000000101
     13        6           0.000000311   -0.000000081    0.000000818
     14        1          -0.000000048    0.000000444   -0.000000092
     15        1          -0.000000006    0.000000374   -0.000000092
     16        1           0.000000269    0.000000444   -0.000000095
     17        1           0.000000103    0.000000767   -0.000000068
     18        1           0.000000203   -0.000000709    0.000000054
     19        1           0.000000188    0.000000207   -0.000000058
     20        1           0.000000102   -0.000000320   -0.000000003
     21        6          -0.000000637   -0.000000792    0.000000022
     22        6          -0.000000766   -0.000000261   -0.000000945
     23        1           0.000000155    0.000000503   -0.000000250
     24        1           0.000000003    0.000000232   -0.000000364
     25        1           0.000000003    0.000000660   -0.000000620
     26        1           0.000000069   -0.000000092    0.000000166
     27        1          -0.000000030    0.000000060    0.000000020
     28        1           0.000000719   -0.000000290    0.000000072
     29        8           0.000000389   -0.000000517    0.000000674
     30        8           0.000000514   -0.000000005    0.000000823
     31        1          -0.000000202   -0.000000296   -0.000000514
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000001424 RMS     0.000000462
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.306513D+03 -0.200905D+02 -0.821837D+01
      2  -0.200905D+02  0.187212D+03 -0.486515D+01
      3  -0.821837D+01 -0.486515D+01  0.125874D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.120986D+02  0.199122D+02  0.356692D+01
      2  -0.853321D+02 -0.311613D+01 -0.274291D+02
      3   0.110547D+03 -0.405254D+02 -0.414620D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.457540D+03 -0.117428D+03 -0.941652D+02
      2  -0.197697D+03  0.965617D+02  0.982011D+01
      3  -0.259843D+03  0.208664D+02  0.843451D+02
      4  -0.727032D+02  0.874649D+02 -0.717818D+01
      5  -0.134295D+02 -0.751152D+00 -0.898278D+02
      6  -0.474058D+01  0.190457D+02 -0.247446D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.374205D+02 -0.734563D+01 -0.116880D+01 -0.444177D+01  0.337635D+01
      2  -0.734563D+01  0.968908D+01 -0.757161D-01  0.337635D+01 -0.129317D+02
      3  -0.116880D+01 -0.757161D-01  0.375124D+01  0.546459D+00  0.134557D+01
                 6             7             8             9            10 
      1   0.546459D+00 -0.182789D+01  0.100271D+01  0.714853D+01  0.435454D+01
      2   0.134557D+01  0.100271D+01  0.132916D+00 -0.121929D+01  0.144050D+01
      3  -0.647493D-01  0.714853D+01 -0.121929D+01 -0.135498D+01 -0.872253D-01
                11            12            13            14            15 
      1   0.144050D+01 -0.872253D-01 -0.148741D+02  0.337030D+01  0.112564D+01
      2   0.101878D+02 -0.152612D+01  0.337030D+01  0.327987D+01 -0.132599D+01
      3  -0.152612D+01  0.251829D+01  0.112564D+01 -0.132599D+01 -0.161021D+01
                16            17            18            19            20 
      1   0.176612D+01 -0.429301D+00  0.384433D+01 -0.382681D+02  0.122950D+02
      2  -0.429301D+00 -0.201456D+01 -0.294562D+01  0.122950D+02 -0.887385D+01
      3   0.384433D+01 -0.294562D+01 -0.166647D+00  0.148686D+01  0.584407D+00
                21            22            23            24            25 
      1   0.148686D+01  0.202702D+02 -0.599368D+01 -0.720560D+00  0.184944D+01
      2   0.584407D+00 -0.599368D+01  0.705747D+01  0.429168D+00 -0.124833D+00
      3  -0.453844D+00 -0.720560D+00  0.429168D+00  0.232148D+01  0.416546D+00
                26            27            28            29            30 
      1  -0.124833D+00  0.416546D+00  0.397571D+02 -0.112763D+02 -0.136489D+01
      2   0.111447D+01  0.451793D+01 -0.112763D+02  0.333308D+01  0.405517D+00
      3   0.451793D+01 -0.121583D+01 -0.136489D+01  0.405517D+00  0.128214D-01
                31            32            33            34            35 
      1   0.453195D+02 -0.842910D+01 -0.308711D+01 -0.852548D+01  0.222830D+01
      2  -0.842910D+01  0.879838D+01  0.234108D+00  0.222830D+01 -0.103646D+01
      3  -0.308711D+01  0.234108D+00 -0.143086D+00  0.129215D+01  0.978020D+00
                36            37            38            39            40 
      1   0.129215D+01 -0.428182D+02  0.120264D+02  0.139708D+01 -0.414943D+02
      2   0.978020D+00  0.120264D+02 -0.765237D+01 -0.598877D+00  0.713520D+01
      3  -0.290965D+00  0.139708D+01 -0.598877D+00  0.157919D+00  0.282482D+01
                41            42            43            44            45 
      1   0.713520D+01  0.282482D+01  0.865773D+01 -0.201202D+01 -0.138806D+01
      2  -0.633257D+01 -0.533270D-01 -0.201202D+01  0.127193D+01 -0.898108D+00
      3  -0.533270D-01 -0.294439D-01 -0.138806D+01 -0.898108D+00  0.408121D+00
                46            47            48            49            50 
      1  -0.334738D+01 -0.309778D+01  0.779659D+00 -0.262916D+01  0.460997D+01
      2  -0.309778D+01 -0.514631D+01  0.330912D+00  0.460997D+01 -0.269673D+01
      3   0.779659D+00  0.330912D+00 -0.230388D+01 -0.742198D+00 -0.787553D+00
                51            52            53            54            55 
      1  -0.742198D+00  0.712228D+00 -0.564985D+00 -0.457018D+00  0.842719D+01
      2  -0.787553D+00 -0.564985D+00 -0.515601D-01 -0.412951D+01  0.129574D+01
      3  -0.118374D+01 -0.457018D+00 -0.412951D+01  0.138313D+01 -0.151688D+01
                56            57            58            59            60 
      1   0.129574D+01 -0.151688D+01  0.845125D+00 -0.376621D+01  0.718081D+00
      2   0.990256D+01  0.105634D+00 -0.376621D+01  0.298225D+00  0.844876D+00
      3   0.105634D+00  0.183677D+01  0.718081D+00  0.844876D+00  0.132348D+01
                61            62            63            64            65 
      1  -0.717970D+00  0.830931D+00  0.103107D+01 -0.397971D+01 -0.162146D+01
      2   0.830931D+00  0.515516D-01  0.457193D+01 -0.162146D+01 -0.139807D+02
      3   0.103107D+01  0.457193D+01 -0.136991D+01  0.187101D+00  0.118242D+01
                66            67            68            69            70 
      1   0.187101D+00  0.114812D+02 -0.743183D+00 -0.574553D+00 -0.398567D+01
      2   0.118242D+01 -0.743183D+00 -0.687188D+01  0.116840D+01 -0.215735D-01
      3  -0.255474D+01 -0.574553D+00  0.116840D+01  0.132036D+01 -0.553923D+01
                71            72            73            74            75 
      1  -0.215735D-01 -0.553923D+01 -0.525663D+02  0.558177D+01  0.201523D+01
      2   0.294587D+01  0.276240D+01  0.558177D+01 -0.482140D+01  0.263899D+00
      3   0.276240D+01  0.704967D+00  0.201523D+01  0.263899D+00 -0.139349D+01
                76            77            78            79            80 
      1   0.840256D+01 -0.353752D+01 -0.113405D+01  0.110098D+01 -0.100429D+01
      2  -0.353752D+01  0.166715D+02 -0.123922D+01 -0.100429D+01 -0.891477D+00
      3  -0.113405D+01 -0.123922D+01 -0.553604D+00 -0.631139D+01  0.655633D+00
                81            82            83            84            85 
      1  -0.631139D+01  0.448404D+02 -0.119702D+02 -0.153320D+01 -0.231073D+02
      2   0.655633D+00 -0.119702D+02  0.111737D+02 -0.448813D+00  0.308748D+01
      3   0.114330D+01 -0.153320D+01 -0.448813D+00  0.179450D+00  0.522098D+00
                86            87            88            89            90 
      1   0.308748D+01  0.522098D+00 -0.376782D+01  0.235327D+00 -0.482637D+00
      2  -0.678099D+01  0.601836D-01  0.235327D+00 -0.921503D+00 -0.321435D+01
      3   0.601836D-01 -0.164158D+01 -0.482637D+00 -0.321435D+01  0.128604D+01
                91            92            93            94            95 
      1   0.107939D+02 -0.160922D+01 -0.980983D+00  0.624126D+01  0.222379D+01
      2  -0.160922D+01  0.200350D+01  0.574904D-01  0.222379D+01 -0.293029D+01
      3  -0.980983D+00  0.574904D-01  0.181238D+01 -0.489276D+00 -0.303252D+00
                96            97            98            99           100 
      1  -0.489276D+00  0.566916D+01  0.507561D+00  0.680994D+01 -0.827754D+01
      2  -0.303252D+00  0.507561D+00  0.150138D+00  0.230046D+01  0.410639D+01
      3   0.316336D+01  0.680994D+01  0.230046D+01 -0.283278D+00  0.117737D+00
               101           102           103           104           105 
      1   0.410639D+01  0.117737D+00 -0.234863D+01  0.405354D+01 -0.311050D+00
      2  -0.443778D+01  0.384100D-01  0.405354D+01  0.511944D+00 -0.489955D+00
      3   0.384100D-01 -0.121991D+00 -0.311050D+00 -0.489955D+00 -0.120783D+01
               106           107           108           109           110 
      1   0.110823D+01 -0.717212D+00  0.274453D+00 -0.595064D-01 -0.436682D+01
      2  -0.717212D+00  0.518208D+00  0.670918D+00 -0.436682D+01  0.191484D+01
      3   0.274453D+00  0.670918D+00 -0.512513D-01  0.266601D+00  0.765939D+00
               111           112           113           114           115 
      1   0.266601D+00 -0.266157D+01 -0.270404D+01  0.901533D+00 -0.249428D+00
      2   0.765939D+00 -0.270404D+01  0.212448D+01  0.112836D+01  0.971475D+00
      3  -0.206206D+00  0.901533D+00  0.112836D+01  0.635916D+01 -0.279349D+01
               116           117           118           119           120 
      1   0.971475D+00 -0.279349D+01  0.607577D+01 -0.319763D+01 -0.276892D+00
      2   0.596279D+00  0.488911D+01 -0.319763D+01  0.288523D+01  0.180301D-01
      3   0.488911D+01 -0.115345D+01 -0.276892D+00  0.180301D-01  0.300175D+00
               121           122           123           124           125 
      1  -0.484901D+01  0.463067D+01 -0.145218D+00 -0.264014D+00 -0.212544D+00
      2   0.463067D+01 -0.569133D+01  0.891916D-01 -0.212544D+00  0.271569D+00
      3  -0.145218D+00  0.891916D-01 -0.647563D+00 -0.470492D+00 -0.259798D-01
               126           127           128           129           130 
      1  -0.470492D+00  0.153745D+01  0.283413D+01 -0.363215D+00  0.357006D+01
      2  -0.259798D-01  0.283413D+01  0.228406D+01 -0.437772D+00  0.371828D+01
      3   0.136695D+00 -0.363215D+00 -0.437772D+00  0.499068D+00 -0.568466D+00
               131           132           133           134           135 
      1   0.371828D+01 -0.568466D+00 -0.501747D+00 -0.628585D+00  0.313921D+00
      2   0.791610D+01 -0.101110D+01 -0.628585D+00 -0.102470D+01  0.195711D+00
      3  -0.101110D+01  0.110423D+01  0.313921D+00  0.195711D+00 -0.205110D+00
               136           137           138           139           140 
      1  -0.792593D+00 -0.163664D+01  0.242017D+00 -0.547507D+00 -0.126316D+01
      2  -0.163664D+01 -0.241329D+01  0.400025D+00 -0.126316D+01 -0.934862D+01
      3   0.242017D+00  0.400025D+00 -0.285946D+00  0.119079D+00  0.103802D+01
               141           142           143           144           145 
      1   0.119079D+00  0.168123D+00  0.315390D+00  0.634509D-01  0.112601D+01
      2   0.103802D+01  0.315390D+00  0.119868D+01 -0.218616D+00  0.176677D+01
      3  -0.104133D+01  0.634509D-01 -0.218616D+00  0.148532D+00 -0.270765D+00
               146           147           148           149           150 
      1   0.176677D+01 -0.270765D+00  0.888183D+00  0.177684D+01 -0.145081D+00
      2   0.284393D+01 -0.422291D+00  0.177684D+01  0.107703D+02 -0.108031D+01
      3  -0.422291D+00  0.296096D+00 -0.145081D+00 -0.108031D+01  0.108582D+01
               151           152           153           154           155 
      1   0.282027D+00 -0.435092D+00  0.963388D-01 -0.588977D+01  0.353975D+01
      2  -0.435092D+00 -0.138942D+01  0.206710D+00  0.353975D+01 -0.371444D+01
      3   0.963388D-01  0.206710D+00 -0.117077D+00  0.290165D+00 -0.710941D-01
               156           157           158           159           160 
      1   0.290165D+00  0.396091D+01 -0.472978D+01  0.165309D+00  0.879255D-01
      2  -0.710941D-01 -0.472978D+01  0.641633D+01  0.243472D-01  0.297423D+00
      3  -0.474314D+00  0.165309D+00  0.243472D-01  0.797067D+00  0.377410D+00
               161           162           163           164           165 
      1   0.297423D+00  0.377410D+00 -0.197883D+01 -0.215521D+01  0.323263D+00
      2  -0.291606D+00  0.255134D+00 -0.215521D+01 -0.892248D+00  0.242359D+00
      3   0.255134D+00 -0.216465D+00  0.323263D+00  0.242359D+00 -0.425017D+00
               166           167           168           169           170 
      1  -0.327836D+01 -0.290516D+01  0.492886D+00 -0.495405D-01  0.343422D+00
      2  -0.290516D+01 -0.570868D+01  0.799033D+00  0.343422D+00  0.425525D+00
      3   0.492886D+00  0.799033D+00 -0.104462D+01 -0.422460D+00 -0.270329D+00
               171           172           173           174           175 
      1  -0.422460D+00 -0.168104D+01  0.223962D+01  0.208437D+00  0.479183D+01
      2  -0.270329D+00  0.223962D+01 -0.171175D+01 -0.234242D+00 -0.237504D+01
      3   0.342987D-01  0.208437D+00 -0.234242D+00 -0.947982D+00 -0.603816D+00
               176           177           178           179           180 
      1  -0.237504D+01 -0.603816D+00 -0.162683D+00 -0.271158D+00 -0.125861D+01
      2   0.505181D+01  0.400705D+00 -0.271158D+00  0.311332D+00  0.555073D+00
      3   0.400705D+00  0.111680D+01 -0.125861D+01  0.555073D+00  0.402327D+00
               181           182           183           184           185 
      1   0.100251D+02  0.140874D+01 -0.175103D+01 -0.218778D+01 -0.189821D+01
      2   0.140874D+01 -0.138921D+01 -0.473171D+00 -0.189821D+01  0.249422D+01
      3  -0.175103D+01 -0.473171D+00 -0.286486D+01  0.678236D+00 -0.426289D+00
               186           187           188           189           190 
      1   0.678236D+00  0.299545D+01  0.398022D+00 -0.401818D+01  0.485900D+01
      2  -0.426289D+00  0.398022D+00 -0.436015D-03 -0.311963D+01 -0.704861D+00
      3  -0.479978D+01 -0.401818D+01 -0.311963D+01 -0.101378D+01  0.297358D+01
               191           192           193           194           195 
      1  -0.704861D+00  0.297358D+01 -0.458760D+01 -0.858902D+00 -0.297794D+01
      2  -0.118186D+00 -0.939117D+00 -0.858902D+00  0.685148D-01 -0.151172D+00
      3  -0.939117D+00  0.155275D+01 -0.297794D+01 -0.151172D+00 -0.541513D+01
               196           197           198           199           200 
      1   0.391393D+01 -0.160213D+01  0.529462D+00  0.147695D+02  0.185794D+01
      2  -0.160213D+01  0.485602D+00 -0.252010D+01  0.185794D+01  0.100123D+01
      3   0.529462D+00 -0.252010D+01  0.717938D+00 -0.134453D+01 -0.190661D+00
               201           202           203           204           205 
      1  -0.134453D+01  0.572446D+01  0.164090D+01 -0.523650D+00 -0.175281D+01
      2  -0.190661D+00  0.164090D+01  0.132189D+01 -0.283934D+00 -0.225375D+00
      3   0.128659D+01 -0.523650D+00 -0.283934D+00  0.374443D+00  0.171676D+01
               206           207           208           209           210 
      1  -0.225375D+00  0.171676D+01 -0.957976D+00  0.185423D+00 -0.637190D+00
      2  -0.277571D+00 -0.207044D+00  0.185423D+00 -0.673576D+00 -0.165732D+00
      3  -0.207044D+00 -0.409241D+00 -0.637190D+00 -0.165732D+00 -0.627675D+00
               211           212           213           214           215 
      1  -0.222620D+01  0.230500D+01  0.153214D+01 -0.376744D+01  0.174678D+01
      2   0.230500D+01 -0.377516D+01 -0.271880D+01  0.174678D+01 -0.282103D+01
      3   0.153214D+01 -0.271880D+01 -0.325467D+01  0.281147D+01 -0.327877D+01
               216           217           218           219           220 
      1   0.281147D+01  0.384233D+00 -0.683522D-01  0.123480D+01 -0.194298D+01
      2  -0.327877D+01 -0.683522D-01 -0.210385D+00 -0.429784D+00  0.206635D+01
      3  -0.451541D+01  0.123480D+01 -0.429784D+00  0.672223D-01 -0.152963D+01
               221           222           223           224           225 
      1   0.206635D+01 -0.152963D+01  0.550763D+01 -0.221245D+01  0.344095D+01
      2  -0.240745D+01  0.174790D+01 -0.221245D+01  0.228527D+01 -0.287035D+01
      3   0.174790D+01 -0.260898D+01  0.344095D+01 -0.287035D+01  0.528422D+01
               226           227           228           229           230 
      1   0.145890D+00  0.418400D+00  0.910099D+00  0.170335D+01  0.311478D+00
      2   0.418400D+00  0.582058D+00  0.407128D+00  0.311478D+00  0.105038D+01
      3   0.910099D+00  0.407128D+00  0.255190D+01 -0.378264D+00  0.154094D+01
               231           232           233           234           235 
      1  -0.378264D+00  0.123755D+01  0.191597D+00  0.100292D+00  0.255571D+00
      2   0.154094D+01  0.191597D+00  0.134538D+01  0.166572D+01 -0.548231D+00
      3   0.374463D+01  0.100292D+00  0.166572D+01  0.786494D+01 -0.165911D+00
               236           237           238           239           240 
      1  -0.548231D+00 -0.165911D+00 -0.239440D+01 -0.387624D-01  0.502625D+00
      2   0.116702D+01 -0.348871D+00 -0.387624D-01 -0.515020D+01  0.116919D+01
      3  -0.348871D+00  0.111431D+01  0.502625D+00  0.116919D+01 -0.156757D+01
               241           242           243           244           245 
      1  -0.645775D+00 -0.238458D+00  0.489925D+00 -0.155493D+02 -0.190136D+01
      2  -0.238458D+00  0.384689D+00 -0.359129D+00 -0.190136D+01 -0.110169D+01
      3   0.489925D+00 -0.359129D+00  0.201089D+00  0.408841D+01  0.587753D+00
               246           247           248           249           250 
      1   0.408841D+01 -0.170386D+01 -0.129755D+01  0.276754D+00  0.116251D+01
      2   0.587753D+00 -0.129755D+01 -0.552724D+00  0.492800D+00  0.158509D+00
      3  -0.257033D+01  0.276754D+00  0.492800D+00  0.207531D+00 -0.145049D+01
               251           252           253           254           255 
      1   0.158509D+00 -0.145049D+01 -0.918044D+01  0.272897D+01 -0.454557D+01
      2  -0.601218D-02  0.483517D-01  0.272897D+01 -0.143363D+01  0.798655D+00
      3   0.483517D-01  0.100644D+01 -0.454557D+01  0.798655D+00 -0.293151D+01
               256           257           258           259           260 
      1   0.760492D+01 -0.186733D+01  0.287840D+01 -0.966014D+01  0.124325D+01
      2  -0.186733D+01  0.396962D+01 -0.217585D+01  0.124325D+01 -0.217846D+01
      3   0.287840D+01 -0.217585D+01  0.402857D+01 -0.596146D+01  0.262291D+01
               261           262           263           264           265 
      1  -0.596146D+01  0.205777D+01 -0.572568D+00  0.995314D+00 -0.439945D+01
      2   0.262291D+01 -0.572568D+00  0.115367D+01  0.132329D+01 -0.481415D+00
      3  -0.760506D+01  0.995314D+00  0.132329D+01  0.184700D+01  0.165371D+01
               266           267           268           269           270 
      1  -0.481415D+00  0.165371D+01  0.244397D+01  0.256563D+01  0.293573D+01
      2  -0.363242D+01  0.113790D+01  0.256563D+01  0.306163D+01  0.190264D+01
      3   0.113790D+01  0.178920D+01  0.293573D+01  0.190264D+01  0.484729D+01
               271           272           273           274           275 
      1  -0.148311D+01 -0.165333D+01 -0.150926D+01 -0.112961D+01 -0.141712D+01
      2  -0.165333D+01 -0.155103D+01 -0.114961D+01 -0.141712D+01 -0.299029D+01
      3  -0.150926D+01 -0.114961D+01 -0.162220D+01 -0.100691D+01 -0.160395D+01
               276           277           278           279 
      1  -0.100691D+01 -0.278461D+01 -0.233632D+01 -0.313922D+01
      2  -0.160395D+01 -0.233632D+01 -0.364622D+01 -0.352183D+01
      3  -0.192225D+01 -0.313922D+01 -0.352183D+01 -0.560086D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.774287D+00  0.515503D+01 -0.259160D+01  0.530700D+01 -0.129227D+01
      2  -0.112643D+02  0.470651D+01  0.572606D+00  0.720083D+01 -0.378868D+01
      3   0.756730D+01  0.176887D+02 -0.170927D+01  0.448354D+02 -0.459346D+01
                 6             7             8             9            10 
      1   0.329615D+01  0.270662D+00  0.146679D+02 -0.158583D+01 -0.289607D+00
      2  -0.650340D+00  0.228325D+01  0.312541D+01 -0.224747D+01 -0.205063D+01
      3  -0.312030D+01 -0.507555D+01 -0.285658D+01  0.380574D+01 -0.240070D+02
                11            12            13            14            15 
      1   0.379819D+01  0.575356D+01 -0.481794D+00 -0.213625D+00 -0.177388D+01
      2   0.130739D+01  0.821399D+01  0.124320D+01 -0.247974D+01 -0.397664D+01
      3   0.425644D+01 -0.152080D+00 -0.233649D+02 -0.107936D+02  0.344345D+01
                16            17            18            19            20 
      1   0.120908D+02  0.460071D+01 -0.273446D+01 -0.231618D+01 -0.413324D+01
      2  -0.571227D+01 -0.123447D+02  0.405662D+00  0.965783D+01 -0.609044D+01
      3   0.429731D+01  0.136112D+01  0.466171D+00 -0.357642D+02 -0.272760D+02
                21            22            23            24            25 
      1   0.103967D+01 -0.161773D+01  0.263962D+01 -0.327320D+01 -0.814312D+01
      2   0.313270D+01 -0.728914D+01  0.602745D+01  0.438702D+01 -0.172987D+02
      3   0.453552D+01  0.704188D+01  0.114679D+02 -0.285021D+01  0.460639D+01
                26            27            28            29            30 
      1   0.293644D+01  0.894537D+00  0.888589D+00  0.494329D+01 -0.955488D+00
      2   0.184847D+02 -0.195081D+01 -0.159924D+02  0.898156D+01 -0.466474D+01
      3  -0.151219D+01 -0.923601D+01  0.308569D+02  0.388805D+02 -0.596962D+01
                31            32            33            34            35 
      1   0.487474D+01  0.295008D+00  0.100522D+01 -0.591581D+01  0.692319D+01
      2  -0.694809D+01 -0.182179D+01  0.887855D+00 -0.197320D+02  0.159536D+01
      3   0.742736D+02 -0.312161D+02 -0.291530D+01 -0.816120D+01 -0.182608D+01
                36            37            38            39            40 
      1   0.245024D-01 -0.484275D+00  0.312454D+01 -0.798524D+00  0.344981D+01
      2   0.169123D+01  0.135993D+02  0.222319D+01 -0.415483D+00  0.120095D+02
      3   0.448435D+00 -0.198136D+02  0.451315D+02 -0.466795D+01  0.236638D+02
                41            42            43            44            45 
      1  -0.387061D+01 -0.358974D+00 -0.444253D+01  0.829163D+01 -0.324544D+00
      2  -0.525269D+01 -0.448125D+00 -0.229335D+02  0.257037D+01  0.152053D+01
      3  -0.301852D+02  0.140095D+01  0.299846D+01 -0.253696D+01  0.108796D+01
                46            47            48            49            50 
      1   0.218478D+01 -0.528194D+01 -0.500207D+01 -0.960119D+00  0.219199D+01
      2  -0.599865D+00 -0.467778D+01 -0.600998D+01 -0.118442D+01  0.194591D+01
      3   0.397841D+02 -0.344705D+02  0.319075D+01 -0.921019D+01  0.332593D+02
                51            52            53            54            55 
      1  -0.236213D+01 -0.696788D+01 -0.242395D+01  0.177285D+01  0.186331D+01
      2  -0.184166D+01 -0.232087D+02 -0.275234D+01  0.414289D+01  0.434591D+01
      3  -0.173987D+01  0.142032D+01  0.189425D+01  0.104016D+02  0.364276D+02
                56            57            58            59            60 
      1  -0.155708D+01 -0.515553D+01 -0.310841D+01  0.167712D+01 -0.337109D+01
      2  -0.581154D+01  0.570743D+00 -0.388776D+01  0.443070D+01 -0.341697D+00
      3  -0.323144D+02  0.149174D+01 -0.926868D+01  0.259939D+02 -0.133276D+01
                61            62            63            64            65 
      1  -0.800983D+01 -0.534781D+01  0.375234D+01  0.154732D+00 -0.193702D+01
      2  -0.174687D+02  0.150840D+00  0.156116D+01 -0.387361D+01  0.129424D+01
      3  -0.220689D+00  0.161133D+01  0.462759D+01 -0.195363D+02  0.429368D+01
                66            67            68            69            70 
      1   0.656808D+01  0.361089D+01 -0.193671D+01 -0.460507D+00  0.147173D+02
      2   0.356862D+01 -0.783693D+01 -0.102676D+01 -0.228652D+01 -0.357002D+01
      3  -0.165575D+01  0.959497D+01 -0.140623D+01 -0.144339D+01 -0.304131D+01
                71            72            73            74            75 
      1   0.568049D+01 -0.282529D+01 -0.733698D+01  0.191079D+01 -0.336606D+00
      2  -0.913558D+01  0.213688D+01  0.184117D+02 -0.153135D+01 -0.116983D+01
      3  -0.516606D+00 -0.633253D+01 -0.475561D+02  0.135503D+02  0.667681D+00
                76            77            78            79            80 
      1   0.115566D+01  0.525364D+01 -0.995473D-01  0.293728D+01  0.144949D+02
      2   0.854009D+00  0.639705D+00  0.201743D+01 -0.104507D+02  0.236800D+01
      3   0.367103D+02 -0.943547D+01  0.698621D+00 -0.194635D+01 -0.218050D+01
                81            82            83            84            85 
      1  -0.265371D+01  0.760208D+00 -0.748659D+00  0.111381D+01 -0.171548D+01
      2   0.206149D+01 -0.200843D+02  0.738992D+00  0.336593D+00  0.928107D+01
      3  -0.469677D+01  0.195471D+02 -0.400937D+02  0.440611D+01 -0.147378D+02
                86            87            88            89            90 
      1  -0.807052D+00 -0.914605D+00 -0.494655D+01  0.396843D+01 -0.612723D+00
      2   0.379927D+00  0.193264D+01 -0.186422D+02  0.918908D+01 -0.649843D+00
      3   0.548633D+01 -0.694449D+00 -0.931330D-01  0.212369D+01 -0.190116D+01
                91            92            93            94            95 
      1   0.432695D+01  0.227018D+01  0.890035D+00  0.503145D+01 -0.153595D+01
      2  -0.658485D+01  0.677347D+00 -0.555159D+00 -0.627325D+01 -0.104502D+01
      3   0.144614D+02  0.134812D+01  0.798280D+00  0.312662D+02 -0.163341D+02
                96            97            98            99           100 
      1  -0.511685D+01  0.428793D+01  0.206948D+01  0.135388D+01  0.166234D+01
      2  -0.916410D+01 -0.379411D+02 -0.811829D+01 -0.332289D+01  0.441677D+01
      3  -0.118369D+01  0.105368D+02 -0.120284D+01  0.156620D+02  0.153596D+01
               101           102           103           104           105 
      1  -0.534118D+01  0.350749D+01 -0.233725D+00 -0.122346D+01 -0.567711D+01
      2  -0.384902D+01  0.148886D+02 -0.140656D+01 -0.210987D+01 -0.707732D+01
      3  -0.447855D+02  0.208700D+01 -0.799775D+01 -0.552879D+01  0.209620D+01
               106           107           108           109           110 
      1   0.171155D+01 -0.168300D+01  0.176909D+00  0.953340D+00  0.203232D+01
      2  -0.615817D+01  0.246416D+01 -0.751537D+00  0.917049D+00  0.497854D+01
      3   0.650789D+00  0.483597D+01 -0.310037D+01  0.342850D+02  0.683529D+01
               111           112           113           114           115 
      1  -0.149603D+01  0.156356D+01 -0.824612D+00  0.743340D+01 -0.139338D+02
      2  -0.208066D+01  0.577921D+01  0.515638D+01  0.403666D+02 -0.200976D+02
      3  -0.704679D+01  0.266127D+02 -0.305897D+02 -0.745124D+01 -0.625769D+01
               116           117           118           119           120 
      1   0.950928D+01 -0.245346D+01 -0.134788D+01  0.497945D+00  0.184404D+01
      2   0.313877D+02 -0.776484D+01 -0.223914D+01  0.593494D+00  0.164414D+01
      3  -0.507564D+01 -0.311270D+02 -0.490887D+01 -0.490744D+01  0.730789D+00
               121           122           123           124           125 
      1   0.471895D-01 -0.187430D+00 -0.310727D+01 -0.267075D+01  0.133575D+01
      2   0.235273D+00 -0.239028D+00 -0.324943D+01 -0.289279D+01  0.241517D+00
      3  -0.453240D+01  0.133949D+02 -0.224283D+00  0.164184D+01 -0.898119D+00
               126           127           128           129           130 
      1   0.361131D+00  0.123881D+00  0.154196D+00 -0.154415D+01  0.334582D+00
      2   0.677714D+00 -0.839983D+00 -0.108404D+01  0.204775D+01 -0.104902D+01
      3   0.100629D+01 -0.423694D+01 -0.438771D+01  0.800091D+00 -0.178911D+01
               131           132           133           134           135 
      1  -0.183193D+00 -0.401891D+01  0.260821D-01  0.180413D+01  0.433520D+00
      2  -0.267990D+01  0.398140D+01 -0.186519D+01 -0.372712D-01 -0.415456D+00
      3  -0.189808D+02  0.205040D+01  0.865552D+00  0.225681D+01  0.185747D+00
               136           137           138           139           140 
      1   0.324003D+00  0.779698D-01 -0.156917D+01 -0.774294D-01 -0.519949D+00
      2   0.962312D+00  0.893523D+00  0.121322D+00  0.605086D+00  0.187739D+01
      3   0.835456D+01  0.540288D+01 -0.123378D+01  0.630534D+01  0.189794D+02
               141           142           143           144           145 
      1  -0.455248D+01  0.566052D+00  0.300089D+01  0.167252D+00  0.100775D+01
      2  -0.580602D+00 -0.362758D+00 -0.466682D-01 -0.105067D+00  0.465751D+00
      3  -0.220370D+01 -0.158925D+01 -0.271757D+01 -0.188213D+00  0.591078D+01
               146           147           148           149           150 
      1   0.107410D+01 -0.190311D+01  0.720424D+00  0.278947D+01 -0.565598D+01
      2  -0.411314D-01  0.905585D+00  0.250903D+00 -0.156426D+00  0.126425D+01
      3   0.255737D+01 -0.831228D+00  0.578842D+01  0.396086D+01 -0.618079D+00
               151           152           153           154           155 
      1   0.127063D+01  0.227755D+01  0.301096D+00  0.115769D+00 -0.465736D+00
      2  -0.136935D+01  0.104403D+01 -0.553771D+00 -0.786127D-01 -0.223077D+00
      3  -0.718624D+00 -0.112233D+01 -0.689892D+00 -0.106009D+02  0.945881D+00
               156           157           158           159           160 
      1   0.277363D+01 -0.173303D+01  0.160059D+01 -0.372917D+01 -0.275713D+01
      2   0.193503D+01 -0.866484D+00  0.454182D+00 -0.281903D+01 -0.241062D+01
      3   0.490259D+00  0.387700D+01  0.721414D+00  0.306982D+00  0.139962D+01
               161           162           163           164           165 
      1   0.102893D+01  0.688638D+00 -0.835217D+00 -0.192892D-01 -0.157757D+01
      2   0.116805D-02  0.394103D+00  0.401812D+00  0.497126D+00  0.267607D+00
      3   0.225998D+00  0.954228D+00  0.189441D+01  0.878473D+00  0.171919D-02
               166           167           168           169           170 
      1  -0.722550D+00 -0.209116D+01 -0.352969D+01 -0.156834D+01  0.207835D+01
      2   0.123881D+01 -0.938937D-01  0.171604D+01 -0.168613D+01 -0.865365D+00
      3   0.529663D+01 -0.451703D+01  0.297864D+00 -0.139753D+01  0.475291D+00
               171           172           173           174           175 
      1   0.580718D-01  0.972058D+00 -0.714208D+00  0.102902D+01 -0.216865D+00
      2   0.712586D+00 -0.479504D-01 -0.392573D+00  0.400371D+01 -0.204048D-01
      3   0.686764D+00  0.840218D+01 -0.693415D+01 -0.904313D+00 -0.163855D+01
               176           177           178           179           180 
      1   0.278609D+01 -0.247419D+01  0.141932D+00  0.163136D+01  0.364289D+00
      2   0.322725D+00 -0.411254D+01  0.236428D+01 -0.128810D+01 -0.796187D+00
      3   0.184652D+02  0.445860D+00 -0.167758D+01  0.121055D+01  0.942706D+00
               181           182           183           184           185 
      1   0.261060D+01 -0.569009D+01 -0.215124D+01 -0.367553D+01  0.732421D+01
      2  -0.129305D+02 -0.200808D+01  0.174848D+02 -0.362767D+01  0.596025D+01
      3  -0.188967D+01 -0.127770D+02  0.179817D+01 -0.125947D+02  0.146663D+02
               186           187           188           189           190 
      1  -0.507526D+01  0.941383D+00 -0.407448D+00 -0.940195D+01 -0.659217D+00
      2   0.166870D+02  0.130136D+02  0.107661D+02  0.104374D+02  0.948556D+01
      3   0.985445D+00  0.691497D+01 -0.385301D+00 -0.125627D+02 -0.784271D+01
               191           192           193           194           195 
      1  -0.848761D+01 -0.434150D+01 -0.762812D+01  0.252477D+01  0.344491D+00
      2   0.525913D+01  0.363592D+01  0.218667D+02  0.190613D+01  0.201937D+02
      3  -0.613787D+01 -0.613503D+01 -0.766431D+01 -0.240196D+00  0.170519D+01
               196           197           198           199           200 
      1   0.135345D+01 -0.241178D+01  0.193923D+00 -0.154984D+01 -0.858235D+00
      2  -0.525449D+01  0.817109D+01 -0.140559D+02 -0.422754D+01 -0.799959D+00
      3  -0.658691D+01  0.201812D+02 -0.112445D+02 -0.216972D+02 -0.112519D+02
               201           202           203           204           205 
      1   0.431897D+00 -0.788683D+00 -0.687236D+00 -0.677563D+00  0.166354D+01
      2   0.987432D+01 -0.177235D+01 -0.122147D+01  0.261879D+01  0.797054D+01
      3   0.234329D+01 -0.124186D+02 -0.923333D+01  0.205293D+01  0.266824D+01
               206           207           208           209           210 
      1   0.222040D+00 -0.602575D-01  0.787971D+00 -0.172099D-02 -0.139752D+01
      2  -0.123005D+01 -0.212315D+01 -0.531788D+01 -0.124850D+01 -0.298190D+01
      3   0.228231D+01  0.699087D+00  0.152992D+01  0.289824D+01  0.180266D+01
               211           212           213           214           215 
      1   0.833805D+00  0.625700D-01 -0.402414D+01  0.286309D+01  0.214656D+00
      2   0.577828D+01 -0.141159D+02 -0.187396D+02  0.112967D+02 -0.187706D+02
      3  -0.108101D+02  0.272949D+02  0.157477D+02 -0.706892D+01  0.188488D+02
               216           217           218           219           220 
      1  -0.464890D+01  0.193276D+00 -0.240946D+00 -0.154960D+00 -0.202572D+01
      2  -0.246354D+02  0.848348D+01 -0.269342D+01  0.114207D+01 -0.776809D+01
      3   0.195810D+02  0.191384D+01 -0.488086D+00  0.185892D+01 -0.102172D+02
               221           222           223           224           225 
      1   0.213477D+01 -0.438691D+01  0.517427D+01 -0.114901D+01  0.739289D+01
      2   0.102387D+02 -0.160924D+02  0.161754D+02 -0.178164D+02  0.315543D+02
      3   0.186919D+02 -0.103601D+02  0.916966D+01 -0.161122D+02  0.174071D+02
               226           227           228           229           230 
      1   0.108764D+01  0.282345D+01  0.126761D+01  0.173194D+01  0.369196D+01
      2  -0.554360D+01 -0.218321D+01 -0.988214D+01 -0.246378D+01 -0.615871D+01
      3   0.151946D+01  0.222968D+01  0.114436D+00  0.316034D+01  0.330407D+01
               231           232           233           234           235 
      1   0.293458D+01  0.672770D+00  0.624320D+01  0.689250D+01 -0.275147D+01
      2  -0.127796D+02 -0.559896D+01 -0.704745D+01 -0.284568D+02 -0.153969D+01
      3   0.402125D+01 -0.229895D+00  0.394791D+01  0.399715D+01 -0.667345D+01
               236           237           238           239           240 
      1   0.308467D+01  0.121578D+01  0.147195D+01 -0.115609D+02 -0.159707D+01
      2   0.257615D+01 -0.290222D+01  0.269753D+01 -0.592076D+01  0.447580D+01
      3   0.590194D+01 -0.810662D+00  0.502459D+01 -0.210457D+02  0.388498D+01
               241           242           243           244           245 
      1   0.414524D+00  0.100628D+01 -0.152774D+01 -0.184915D+01 -0.302562D+01
      2  -0.152814D+01  0.123022D+01 -0.159023D+01  0.113292D+02  0.328142D+00
      3   0.855720D+00  0.824535D+00 -0.219590D+01 -0.199953D+01 -0.764783D+01
               246           247           248           249           250 
      1  -0.388452D+00 -0.202073D+01 -0.161996D+01 -0.119514D+00 -0.367141D+00
      2   0.686628D+01  0.156554D+01 -0.261998D+00 -0.997229D+00  0.184862D+01
      3   0.164767D+01 -0.310916D+01 -0.336050D+01  0.143650D+01 -0.129491D+01
               251           252           253           254           255 
      1   0.965144D+00  0.785767D+00 -0.433170D+01  0.580773D+01  0.291352D+01
      2  -0.597515D+00 -0.170533D+01  0.853556D+01 -0.202903D+01  0.116797D+02
      3   0.129592D+01  0.725877D+00  0.901737D+01 -0.105232D+02  0.367104D+01
               256           257           258           259           260 
      1   0.412512D+01 -0.641063D+01 -0.203345D+01 -0.127543D+01  0.105133D+02
      2  -0.157259D+02  0.675996D+01 -0.155700D+02  0.193148D+02 -0.913220D+01
      3  -0.328613D+00  0.189843D+02 -0.833681D+01 -0.443335D+01 -0.192323D+02
               261           262           263           264           265 
      1  -0.109736D+00  0.448842D+01  0.946517D+00  0.246919D+01 -0.197866D+01
      2   0.333856D+02 -0.551610D+01 -0.660591D+01 -0.444458D+01 -0.474551D+01
      3   0.845403D+01 -0.214353D+01  0.284597D+01  0.440741D+01  0.207666D+01
               266           267           268           269           270 
      1   0.303164D+01 -0.655319D+01  0.143199D+01  0.102450D+01  0.673101D+01
      2  -0.314226D+01 -0.612813D+01 -0.945862D+01 -0.582873D+01 -0.157526D+02
      3  -0.176703D+02  0.455255D+01  0.762743D+01  0.822004D+01  0.422675D+01
               271           272           273           274           275 
      1   0.201762D-01  0.801644D+00 -0.145383D+01 -0.116443D+01 -0.606477D+00
      2   0.360966D+01  0.378150D+01  0.515065D+01  0.225937D+01  0.541549D+01
      3  -0.429368D+01 -0.525400D+01 -0.329441D+01 -0.259155D+01 -0.958512D+01
               276           277           278           279 
      1  -0.300718D+01 -0.158100D+01  0.538849D+00 -0.583915D+01
      2   0.632645D+01  0.811935D+01  0.122665D+02  0.203044D+02
      3  -0.476157D+01 -0.586015D+01 -0.134205D+02 -0.120910D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124267D+03 -0.380046D+02 -0.447416D+01  0.323565D+01 -0.216692D+02
      2  -0.692195D+02  0.251566D+02  0.896944D+00 -0.805025D+01  0.262961D+02
      3  -0.550474D+02  0.128480D+02  0.357722D+01  0.481460D+01 -0.462691D+01
      4  -0.173683D+02  0.276999D+02 -0.123654D+01 -0.219017D+02 -0.583818D+02
      5   0.993577D+00 -0.659938D+00  0.309596D+01  0.760009D+01  0.450336D+01
      6  -0.291770D+00  0.155909D+01  0.486408D+01  0.497471D+01 -0.356546D+01
                 6             7             8             9            10 
      1   0.392919D+01 -0.162717D+01  0.737006D+01  0.262492D+02  0.160226D+01
      2  -0.506292D+01  0.282151D+01 -0.638578D+01 -0.239351D+02 -0.170360D+01
      3   0.113373D+01 -0.119434D+01 -0.984285D+00 -0.231416D+01  0.101345D+00
      4   0.772948D+01  0.917844D+01  0.241620D+01 -0.317785D+01  0.292074D+02
      5  -0.171012D+01  0.520687D+02 -0.840263D+01 -0.403298D+01  0.435783D+01
      6  -0.475592D+01 -0.736499D+00  0.442435D+01  0.160797D+01 -0.538887D+01
                11            12            13            14            15 
      1   0.577526D+02 -0.395043D+01 -0.782661D+02  0.298826D+02  0.229438D+01
      2  -0.388332D+02  0.341790D+00  0.531978D+02 -0.251417D+02 -0.147545D+01
      3  -0.189195D+02  0.360864D+01  0.250684D+02 -0.474090D+01 -0.818936D+00
      4   0.400462D+02 -0.817416D+01  0.302512D+02  0.263203D+02 -0.802289D+01
      5  -0.944760D+01  0.176830D+02  0.410425D+01 -0.629575D+01 -0.982320D+01
      6   0.305578D+01 -0.117547D+02 -0.577509D+01  0.259686D+01  0.495021D+01
                16            17            18            19            20 
      1   0.121157D+02 -0.119238D+02  0.343734D+00 -0.118187D+03  0.183897D+02
      2  -0.107958D+02  0.929092D+01 -0.674085D+01  0.552149D+02 -0.916060D+01
      3  -0.131991D+01  0.263286D+01  0.639711D+01  0.629718D+02 -0.922915D+01
      4  -0.672606D+01 -0.934821D+01 -0.166316D+02  0.226639D+02 -0.342302D+02
      5   0.269720D+02 -0.185550D+02  0.286136D+01  0.788114D+01  0.608566D+01
      6  -0.159132D+02  0.114196D+02  0.269007D+01  0.520905D+01  0.105321D+01
                21            22            23            24            25 
      1   0.651109D+01  0.939906D+02 -0.168375D+02 -0.699908D+01  0.198725D+01
      2  -0.313135D+01 -0.603167D+02 -0.272189D+01  0.623954D+01  0.118319D+01
      3  -0.337974D+01 -0.336739D+02  0.195594D+02  0.759539D+00 -0.317045D+01
      4   0.538608D+01 -0.152352D+02  0.221143D+02  0.309601D+01  0.309603D+01
      5   0.366568D+01 -0.339183D+01  0.411266D+01  0.102931D+02  0.538577D+01
      6  -0.316018D+00  0.218205D+01  0.586640D+01  0.532415D+01  0.411556D+01
                26            27            28            29            30 
      1   0.214123D+01 -0.179678D+02  0.103304D+03 -0.966223D+01 -0.925909D+01
      2   0.317811D+01  0.125852D+01 -0.465667D+02  0.538276D+01  0.310540D+01
      3  -0.531933D+01  0.167093D+02 -0.567372D+02  0.427947D+01  0.615369D+01
      4   0.857493D+01  0.259601D+02 -0.229049D+02  0.489613D+01  0.659271D+00
      5   0.268727D+02 -0.366679D+01 -0.676311D+01 -0.131318D+01 -0.842241D+01
      6   0.157470D+02 -0.155920D+01 -0.370895D+01  0.145697D+01  0.107673D+01
                31            32            33            34            35 
      1   0.941221D+02 -0.334344D+02 -0.573636D+01 -0.206677D+02  0.368724D+01
      2  -0.441829D+02  0.295427D+02  0.885998D+00  0.948009D+01 -0.314989D+01
      3  -0.499392D+02  0.389171D+01  0.485037D+01  0.111876D+02 -0.537343D+00
      4  -0.175132D+02  0.157914D+02 -0.521193D+00  0.419384D+01 -0.619454D+00
      5   0.349879D+01 -0.278235D+01  0.283056D+00 -0.945712D-01  0.304816D+01
      6  -0.311997D+01  0.316035D+00 -0.214595D+01  0.424056D+01  0.446230D+01
                36            37            38            39            40 
      1  -0.720722D+01 -0.952490D+02  0.528170D+02  0.658068D+00 -0.901926D+02
      2  -0.152843D+01  0.510811D+02 -0.329619D+02 -0.148159D+01  0.487384D+02
      3   0.873565D+01  0.441679D+02 -0.198550D+02  0.823520D+00  0.414542D+02
      4   0.311843D+01  0.556933D+02 -0.490299D+01 -0.285896D+01 -0.674239D+01
      5   0.239164D+01  0.514896D+00 -0.139328D+01  0.827742D+00 -0.104037D+01
      6   0.830406D+00 -0.771285D+00 -0.982712D+00  0.119015D+01  0.403119D+01
                41            42            43            44            45 
      1  -0.154579D+01  0.691695D+01  0.152589D+02 -0.651697D+01 -0.120762D+02
      2   0.442032D+01 -0.491642D+01 -0.753815D+01  0.372160D+01 -0.382936D+00
      3  -0.287453D+01 -0.200053D+01 -0.772072D+01  0.279537D+01  0.124592D+02
      4  -0.481333D+01  0.133274D+01 -0.517624D+01  0.100453D+01  0.999333D+00
      5   0.270044D+01 -0.132242D+00 -0.927220D+00 -0.130995D+01  0.134222D+01
      6  -0.307784D+01 -0.104175D-01  0.214469D+01  0.320883D+01 -0.122792D+00
                46            47            48            49            50 
      1   0.709471D+01 -0.558260D+02  0.166602D+01 -0.174721D+00  0.269404D+02
      2  -0.696324D+01  0.353866D+02  0.452205D+00 -0.491868D+01 -0.253607D+02
      3  -0.131472D+00  0.204394D+02 -0.211822D+01  0.509341D+01 -0.157973D+01
      4  -0.383740D+02 -0.319857D+02  0.513236D+01  0.340557D+02 -0.171875D+02
      5  -0.257273D+01  0.585063D+01 -0.135782D+02 -0.176875D+01 -0.348441D+00
      6   0.480667D+01  0.226101D+01  0.959588D+01  0.425168D+00  0.592505D+01
                51            52            53            54            55 
      1  -0.523223D+01 -0.275949D+01 -0.468807D+00 -0.218129D+02  0.120636D+02
      2   0.542260D+01  0.271830D+01  0.538180D+01  0.660244D+01 -0.102908D+02
      3  -0.190371D+00  0.411910D-01 -0.491299D+01  0.152104D+02 -0.177286D+01
      4  -0.144467D+01 -0.872793D+00  0.457530D+01 -0.117286D+02  0.725100D+01
      5  -0.157238D+01  0.736079D+00 -0.133497D+02  0.718356D+01  0.723822D+01
      6   0.562849D+01  0.235968D+00  0.201079D+02 -0.426416D+01  0.117439D+01
                56            57            58            59            60 
      1  -0.517205D+02 -0.741533D+00  0.206473D+02  0.624769D-01 -0.434389D+01
      2   0.436477D+02  0.549302D+00 -0.187363D+02 -0.114414D+02  0.528361D+01
      3   0.807283D+01  0.192231D+00 -0.191099D+01  0.113790D+02 -0.939727D+00
      4  -0.705119D+01  0.672034D+00 -0.938627D-01 -0.127117D+02  0.254971D+01
      5   0.329280D+01 -0.146592D+01 -0.208028D+01  0.221152D+01  0.166480D+01
      6   0.709190D+01  0.103237D+02  0.114109D+01  0.810839D+01  0.808084D+01
                61            62            63            64            65 
      1  -0.601689D+01  0.829633D+00 -0.250988D+02 -0.690577D+01  0.731577D+02
      2   0.556484D+01  0.312244D+01  0.144228D+02  0.157144D+01 -0.608761D+02
      3   0.452053D+00 -0.395207D+01  0.106761D+02  0.533433D+01 -0.122817D+02
      4   0.740641D+00  0.535522D+01  0.565856D+01  0.591592D+01 -0.157802D+02
      5   0.503731D+01  0.610249D+00  0.223002D+01 -0.292723D+00 -0.470568D+01
      6   0.450121D+01  0.266423D+02 -0.349831D+01 -0.304334D+01 -0.106387D+01
                66            67            68            69            70 
      1  -0.460815D+01 -0.228388D+02  0.349330D+02 -0.626097D+01  0.105797D+02
      2   0.328237D+01  0.274854D+02 -0.373074D+02  0.272750D+01 -0.826289D+01
      3   0.132577D+01 -0.464656D+01  0.237438D+01  0.353347D+01 -0.231680D+01
      4   0.253155D+00  0.790583D+01  0.122494D+02 -0.286005D+01 -0.246334D+01
      5   0.828422D+01  0.131491D+01 -0.565281D+01 -0.638598D+01  0.259865D+02
      6  -0.121168D+02 -0.670528D+01  0.701158D+00  0.358738D+01 -0.194943D+02
                71            72            73            74            75 
      1  -0.170104D+02 -0.136165D+02 -0.426757D+00  0.873906D+01  0.974838D+00
      2   0.137629D+02  0.376158D+01 -0.140550D+02 -0.111715D+02  0.298709D+01
      3   0.324751D+01  0.985495D+01  0.144817D+02  0.243240D+01 -0.396192D+01
      4  -0.416984D+00 -0.102460D+02  0.224116D+02  0.856504D+01 -0.231815D+01
      5  -0.775161D+01 -0.683160D+00 -0.741961D+01 -0.179113D+01  0.162711D+01
      6   0.162948D+02  0.615797D+01  0.270023D+01 -0.310928D+01 -0.338977D+01
                76            77            78            79            80 
      1   0.312322D+02 -0.716918D+02  0.431606D+01  0.107565D+02  0.482570D+01
      2  -0.218263D+02  0.690614D+02 -0.548176D+01 -0.195733D+01 -0.615667D+01
      3  -0.940591D+01  0.263042D+01  0.116570D+01 -0.879916D+01  0.133096D+01
      4  -0.377522D+02 -0.908867D+00  0.139793D+01  0.522401D+01 -0.196381D+01
      5   0.532961D+01  0.387490D+01  0.290772D+01  0.299903D+02 -0.186651D+01
      6   0.342298D+01  0.298056D+01 -0.217411D+01 -0.744485D+01  0.480091D+01
                81            82            83            84            85 
      1  -0.300061D+01  0.602579D+02 -0.586287D+02 -0.544614D+00  0.738836D+01
      2  -0.821151D+01 -0.334340D+02  0.434569D+02 -0.182279D+01 -0.177874D+02
      3   0.112121D+02 -0.268239D+02  0.151718D+02  0.236740D+01  0.103990D+02
      4   0.396407D+01 -0.504735D+02  0.337806D+01  0.392573D+01  0.249909D+02
      5  -0.387437D+01  0.315390D+01  0.384758D+01 -0.334661D+01 -0.188529D+01
      6   0.333628D+01  0.168059D+01  0.305924D+01  0.591399D+00  0.177060D+01
                86            87            88            89            90 
      1   0.332825D+02 -0.105267D+01 -0.482966D+01  0.633884D+01 -0.833709D+01
      2  -0.359831D+02  0.468280D+01  0.189226D+01  0.481339D+00 -0.603938D+01
      3   0.270065D+01 -0.363013D+01  0.293740D+01 -0.682018D+01  0.143765D+02
      4  -0.559808D+01 -0.191816D+00  0.668872D+01  0.172808D+01  0.362165D+01
      5   0.187550D+00  0.583537D+01  0.349750D+01  0.921461D+01 -0.928862D+00
      6   0.111604D+01  0.293857D+01  0.281966D+01  0.611354D+01 -0.263661D+01
                91            92            93            94            95 
      1   0.136108D+02  0.870176D+01 -0.590090D+01 -0.316132D+01 -0.130941D+02
      2  -0.807707D+01 -0.272875D+01 -0.518861D+01  0.135242D+02  0.205311D+01
      3  -0.553370D+01 -0.597301D+01  0.110895D+02 -0.103629D+02  0.110410D+02
      4  -0.562956D+01 -0.157280D+02 -0.319797D+01 -0.318516D+02  0.319336D+02
      5   0.267712D+01 -0.314707D+01 -0.992750D+01  0.354537D+01  0.393396D+01
      6  -0.509312D+01  0.338153D+01 -0.335846D+01  0.423138D+01 -0.556369D+01
                96            97            98            99           100 
      1  -0.537418D+01 -0.121820D+02 -0.321832D+01 -0.107103D+02  0.223392D+02
      2  -0.607731D+01  0.287280D+01  0.623341D+00  0.700358D+01 -0.146529D+02
      3   0.114515D+02  0.930924D+01  0.259498D+01  0.370676D+01 -0.768628D+01
      4   0.282369D+01 -0.463627D+01  0.856699D+00 -0.244338D+02  0.240839D+02
      5  -0.226145D+02 -0.521947D+02 -0.188729D+02  0.799716D+01 -0.277818D+01
      6  -0.376820D+01 -0.109438D+02 -0.473268D+01  0.248296D+01  0.259355D+00
               101           102           103           104           105 
      1   0.318845D+02  0.569517D+00 -0.471169D+01  0.175981D+02 -0.343325D+01
      2  -0.199071D+02  0.182127D+01  0.560263D+01 -0.767378D+01  0.265083D+01
      3  -0.119774D+02 -0.239078D+01 -0.890948D+00 -0.992437D+01  0.782419D+00
      4   0.755074D+01  0.370941D+00  0.459684D+02  0.944422D+01 -0.460141D+01
      5   0.275182D+00  0.290443D+02 -0.528812D+01 -0.276119D+01 -0.122978D+02
      6  -0.226407D+01 -0.636721D+01 -0.209393D+01  0.433192D+00  0.987908D+01
               106           107           108           109           110 
      1   0.484587D+00 -0.396861D+01  0.272808D+01 -0.689557D+02 -0.451802D+02
      2   0.138216D+01  0.329195D+01 -0.986320D+00  0.418737D+02  0.234749D+02
      3  -0.186675D+01  0.676663D+00 -0.174176D+01  0.270819D+02  0.217053D+02
      4  -0.501036D+01 -0.252639D+00  0.638961D+01 -0.429326D+02  0.983921D+01
      5   0.110577D+02  0.460467D+01 -0.406340D+01  0.958715D+01  0.913253D+01
      6   0.286047D+01  0.412900D+01 -0.146547D+01  0.257632D+01 -0.178256D+01
               111           112           113           114           115 
      1   0.100483D+02 -0.354138D+02 -0.111060D+01  0.179247D+02  0.539684D+01
      2  -0.622880D+01  0.158106D+02 -0.262898D-01 -0.840822D+01 -0.222738D+01
      3  -0.381946D+01  0.196033D+02  0.113689D+01 -0.951651D+01 -0.316946D+01
      4   0.817214D+01 -0.310993D+02  0.293535D+02  0.109652D+02  0.116215D+02
      5  -0.946970D+01  0.132382D+02  0.102939D+02  0.778692D+02 -0.321891D+02
      6   0.200087D+01  0.170748D+01 -0.557569D+01 -0.217251D+02  0.145467D+02
               116           117           118           119           120 
      1   0.149708D+02 -0.330003D+01  0.362932D+02 -0.128045D+02 -0.175753D+01
      2  -0.782203D+01 -0.135772D+01 -0.124327D+02 -0.538924D+00  0.922337D+00
      3  -0.714878D+01  0.465775D+01 -0.238605D+02  0.133434D+02  0.835197D+00
      4   0.542017D+01  0.523461D+02 -0.314202D+02  0.263220D+02  0.246485D+00
      5   0.556777D+02 -0.160448D+02 -0.298096D+00 -0.936648D+00  0.327185D+01
      6  -0.171930D+02 -0.179041D+00  0.447262D+00  0.569431D-01 -0.188657D+01
               121           122           123           124           125 
      1  -0.179323D+02  0.534386D+01  0.668168D-01 -0.235949D+01  0.481922D+00
      2  -0.292529D+01  0.152579D+02  0.213487D-01  0.213562D+01 -0.114220D+01
      3   0.208576D+02 -0.206017D+02 -0.881655D-01  0.223868D+00  0.660279D+00
      4   0.389591D+02 -0.443955D+02  0.777319D+00 -0.943521D+00  0.175711D+01
      5  -0.263980D+01  0.297050D+01 -0.552288D+01 -0.197021D+01 -0.693562D+00
      6   0.132756D+01 -0.128299D+01  0.483853D+01  0.131638D+01  0.118320D+01
               126           127           128           129           130 
      1  -0.158036D+01  0.263978D+01  0.763983D+01 -0.476593D+00  0.604289D+01
      2   0.138956D+01  0.417599D+01  0.183319D+01 -0.314589D-01  0.746273D+01
      3   0.190799D+00 -0.681577D+01 -0.947302D+01  0.508052D+00 -0.135056D+02
      4  -0.137103D+01  0.234747D+02  0.236847D+02 -0.370524D+01  0.312950D+02
      5   0.616513D+00 -0.209929D+01 -0.264539D+01  0.419028D+01 -0.300985D+01
      6  -0.548348D+00 -0.163887D+01 -0.198476D+01  0.250069D+01 -0.258249D+01
               131           132           133           134           135 
      1  -0.119677D+02  0.148179D+01 -0.595048D+00  0.366278D+00 -0.104448D+01
      2   0.292703D+02 -0.227468D+01 -0.539916D+00 -0.245454D+01  0.228200D+01
      3  -0.173027D+02  0.792891D+00  0.113496D+01  0.208826D+01 -0.123752D+01
      4   0.549978D+02 -0.673929D+01 -0.488861D+01 -0.755596D+01  0.249930D+01
      5  -0.421956D+01  0.700490D+01  0.273891D+01  0.860750D+00 -0.147231D+01
      6  -0.554443D+01  0.720886D+01  0.281749D+01  0.303294D+01 -0.186683D+01
               136           137           138           139           140 
      1  -0.663382D+01 -0.158423D+02  0.253886D+01 -0.740768D+01 -0.476318D+02
      2   0.704838D+01  0.153209D+02 -0.174278D+01  0.706377D+01  0.570396D+02
      3  -0.414558D+00  0.521356D+00 -0.796073D+00  0.343909D+00 -0.940780D+01
      4  -0.488580D+00  0.490764D+01 -0.607511D-01  0.287317D+01 -0.133799D+02
      5   0.477360D+00  0.434723D+00  0.962271D+00  0.104744D+00  0.388563D+01
      6  -0.135453D+01 -0.293499D+01  0.227952D+01 -0.941507D+00 -0.919890D+01
               141           142           143           144           145 
      1   0.568872D+01  0.149413D+01  0.659673D+01 -0.215004D+01 -0.590599D+01
      2  -0.495984D+01 -0.118734D+01 -0.680658D+01  0.215996D+01  0.944026D+01
      3  -0.728875D+00 -0.306793D+00  0.209850D+00 -0.992050D-02 -0.353427D+01
      4   0.184076D+01  0.145936D+00  0.118429D+01  0.152364D+01  0.792411D+01
      5  -0.229636D+01  0.160539D+01  0.426395D+00 -0.272098D+00  0.209292D+00
      6   0.805743D+01  0.307988D+00  0.327629D+01 -0.169926D+01 -0.994273D+00
               146           147           148           149           150 
      1  -0.113131D+02  0.200215D+01 -0.781473D+01 -0.536104D+02  0.562645D+01
      2   0.171547D+02 -0.204359D+01  0.108475D+02  0.756902D+02 -0.649896D+01
      3  -0.584160D+01  0.414338D-01 -0.303275D+01 -0.220798D+02  0.872509D+00
      4   0.164434D+02 -0.160699D+01  0.100666D+02  0.214215D+02 -0.177477D+01
      5  -0.930994D-01  0.228600D+01 -0.279269D+00  0.114976D+01  0.124052D+01
      6  -0.214353D+01  0.283299D+01 -0.818113D+00 -0.586597D+01  0.919498D+01
               151           152           153           154           155 
      1   0.103339D+01  0.711202D+01 -0.203290D+01  0.273354D+01  0.582025D+01
      2  -0.162566D+01 -0.912233D+01  0.245483D+01  0.977455D+01 -0.164460D+02
      3   0.592271D+00  0.201031D+01 -0.421932D+00 -0.125081D+02  0.106258D+02
      4  -0.124657D+01 -0.363543D+01  0.183642D+01 -0.287593D+02  0.254022D+02
      5  -0.174144D+00  0.187567D+01 -0.907950D+00 -0.168264D+01  0.410589D+00
      6  -0.513802D+00  0.343975D+01 -0.178886D+01  0.256717D+01 -0.226297D+01
               156           157           158           159           160 
      1   0.931347D-01  0.965299D+01 -0.204226D+02 -0.179575D+00 -0.206401D+01
      2   0.421765D-01 -0.223827D+02  0.373198D+02  0.111833D+00  0.211396D+01
      3  -0.135311D+00  0.127297D+02 -0.168972D+02  0.677425D-01 -0.499551D-01
      4   0.636935D+00  0.286312D+02 -0.348123D+02  0.115473D+00 -0.322500D+00
      5   0.372922D+01 -0.648692D+00  0.251588D+00 -0.398534D+01 -0.130043D+00
      6  -0.368289D+01 -0.107288D+01  0.236124D+01  0.606172D+01  0.165523D+01
               161           162           163           164           165 
      1   0.155812D+01 -0.309265D+00  0.415286D+01  0.141392D+00 -0.726860D-03
      2  -0.206123D+01  0.137830D+01 -0.187631D+01  0.611877D+00  0.496447D+00
      3   0.503109D+00 -0.106903D+01 -0.227655D+01 -0.753269D+00 -0.495720D+00
      4   0.109222D+01 -0.187977D+01  0.653351D+01  0.785551D+01 -0.100798D+01
      5  -0.177191D+01  0.635651D+00 -0.159823D+01 -0.147905D+01  0.274672D+01
      6   0.243103D+01 -0.818617D+00 -0.140261D+01 -0.127187D+01  0.116186D+01
               166           167           168           169           170 
      1  -0.313649D+01 -0.169449D+02  0.296893D+01  0.122498D+01  0.139113D+01
      2   0.494281D+01  0.197685D+02 -0.130141D+01 -0.609164D+00 -0.132991D+01
      3  -0.180632D+01 -0.282358D+01 -0.166752D+01 -0.615817D+00 -0.612208D-01
      4   0.120536D+02  0.166246D+02 -0.206493D+01 -0.906078D+00 -0.155105D+01
      5  -0.201585D+01 -0.161708D+01  0.377083D+01  0.346641D+01  0.591089D+00
      6  -0.288787D+01 -0.631069D+01  0.572583D+01  0.235001D+01  0.272448D+01
               171           172           173           174           175 
      1  -0.188156D+01  0.150507D+02 -0.128419D+02 -0.765842D+00 -0.195322D+02
      2   0.196809D+01 -0.250169D+01  0.346344D+01  0.993159D+00  0.597604D+01
      3  -0.865294D-01 -0.125490D+02  0.937844D+01 -0.227316D+00  0.135562D+02
      4   0.197536D+01 -0.224424D+02  0.197824D+02  0.252077D+01  0.254265D+02
      5   0.902317D-01 -0.398158D+01  0.335034D+01  0.859641D+01  0.645668D+01
      6  -0.105044D+01  0.371392D+01 -0.274181D+01 -0.518399D+00 -0.402259D+01
               176           177           178           179           180 
      1   0.538504D+01  0.372783D+00 -0.856413D-01  0.102726D+01  0.268239D+01
      2   0.997779D+01  0.488661D-01  0.114489D+01 -0.127246D+01 -0.139854D+01
      3  -0.153628D+02 -0.421649D+00 -0.105924D+01  0.245203D+00 -0.128385D+01
      4  -0.417030D+02 -0.375928D+01  0.345272D+01 -0.276533D+01 -0.476841D+01
      5  -0.471434D+01 -0.894522D+01  0.108220D+02 -0.426806D+01 -0.347560D+01
      6   0.832326D+01  0.424203D+01 -0.221164D+01  0.596611D+01  0.193650D+01
               181           182           183           184           185 
      1  -0.838714D+02 -0.147300D+02  0.307475D+02 -0.899261D+01  0.222151D+02
      2   0.451550D+02  0.138048D+02 -0.463874D+01  0.370432D+01 -0.157098D+02
      3   0.387163D+02  0.925224D+00 -0.261088D+02  0.528828D+01 -0.650530D+01
      4  -0.165236D+02  0.135002D+02  0.591249D+01  0.186934D+02 -0.171483D+02
      5   0.409822D+02  0.768226D+01  0.127947D+02 -0.882353D+00 -0.436675D+01
      6   0.400739D+01 -0.822061D+01 -0.358157D+00 -0.907087D+01  0.105099D+02
               186           187           188           189           190 
      1   0.173356D+02  0.110656D+02  0.124298D+02  0.230856D+02 -0.185611D+02
      2   0.859655D+01  0.700617D+01  0.427551D+01 -0.435667D+00  0.210709D+02
      3  -0.259321D+02 -0.180718D+02 -0.167053D+02 -0.226500D+02 -0.250982D+01
      4   0.172348D+01 -0.541769D+01  0.143032D+01  0.259776D+02  0.149116D+02
      5   0.308308D+02  0.281622D+02  0.198159D+02 -0.442329D+01 -0.332398D+02
      6   0.237442D+01  0.663792D+01  0.200235D+01 -0.173741D+02  0.460390D+01
               191           192           193           194           195 
      1   0.563662D+01 -0.123782D+02  0.268683D+02  0.408694D+01  0.155887D+02
      2  -0.332413D+01  0.180842D+02 -0.314092D+02 -0.111482D+02 -0.199338D+02
      3  -0.231249D+01 -0.570604D+01  0.454081D+01  0.706129D+01  0.434514D+01
      4  -0.249609D+01  0.772754D+01  0.484510D+01 -0.607679D+01  0.426273D+01
      5   0.810742D+01 -0.164030D+02  0.302984D+02  0.188325D+01  0.457639D+02
      6  -0.639079D+01  0.569366D+01  0.400190D+01  0.215887D+01  0.131980D+01
               196           197           198           199           200 
      1  -0.331927D+02  0.120173D+02 -0.733762D+01  0.195310D+03  0.226311D+02
      2   0.256825D+02 -0.109150D+02  0.184890D+02 -0.104181D+03 -0.128381D+02
      3   0.751018D+01 -0.110234D+01 -0.111514D+02 -0.911285D+02 -0.979302D+01
      4   0.210701D+02 -0.246404D+02  0.253719D+02  0.220941D+02  0.166882D+02
      5  -0.161308D+02  0.234991D+02 -0.218236D+02 -0.207808D+02 -0.256505D+01
      6   0.107165D+02 -0.707962D+01  0.115713D+02 -0.221566D+00 -0.693993D+00
               201           202           203           204           205 
      1  -0.163423D+02  0.659939D+02  0.202929D+02 -0.600806D+01 -0.207921D+02
      2   0.993556D+01 -0.356189D+02 -0.102527D+02  0.378625D+01  0.126868D+02
      3   0.640677D+01 -0.303750D+02 -0.100401D+02  0.222181D+01  0.810529D+01
      4  -0.221988D+01  0.252262D+02  0.167702D+02 -0.362074D+01 -0.273176D+01
      5   0.198553D+02 -0.717817D+01 -0.375848D+01  0.558812D+01  0.250523D+02
      6  -0.590271D+00 -0.113011D+01 -0.628146D+00  0.179984D+01 -0.153947D+00
               206           207           208           209           210 
      1  -0.321390D+01  0.165784D+02  0.281439D+00 -0.378505D+01 -0.114603D+02
      2   0.208486D+01 -0.100580D+02 -0.407565D+00  0.198538D+01  0.475532D+01
      3   0.112905D+01 -0.652038D+01  0.126127D+00  0.179966D+01  0.670503D+01
      4  -0.344311D+01 -0.141182D+01 -0.359350D+00 -0.186050D+01  0.103384D+01
      5  -0.160791D+01 -0.575579D+01 -0.866522D+01  0.283225D+00 -0.324872D+01
      6   0.288039D+01 -0.467313D-01  0.190531D+01  0.120217D+01  0.233657D+01
               211           212           213           214           215 
      1  -0.186023D+02  0.248822D+01  0.563311D+00 -0.317643D+02  0.131288D+01
      2   0.802550D+01  0.508659D+01  0.973642D+00  0.177498D+02  0.115481D+00
      3   0.105768D+02 -0.757481D+01 -0.153695D+01  0.140145D+02 -0.142836D+01
      4   0.300376D+02 -0.425974D+02 -0.286019D+02  0.212260D+02 -0.301998D+02
      5   0.183171D+02 -0.288710D+02 -0.371160D+02  0.340589D+02 -0.351820D+02
      6  -0.832123D+01  0.139042D+02  0.145930D+02 -0.112531D+02  0.149681D+02
               216           217           218           219           220 
      1   0.223009D+01  0.150546D+02 -0.422856D+01  0.124916D+02 -0.185291D+02
      2  -0.749460D+01 -0.767195D+01  0.159761D+01 -0.559874D+01  0.745895D+01
      3   0.526451D+01 -0.738261D+01  0.263096D+01 -0.689284D+01  0.110701D+02
      4  -0.331467D+02 -0.449841D+01  0.250760D+01 -0.693461D+01  0.277566D+02
      5  -0.471397D+02  0.147885D+02 -0.643744D+01  0.424307D+01 -0.195698D+02
      6   0.157678D+02 -0.334639D+01  0.125626D+01  0.274066D+00  0.537481D+01
               221           222           223           224           225 
      1   0.885472D+01 -0.906097D+01  0.491336D+02 -0.125164D+02  0.136316D+02
      2   0.233497D+00  0.199613D+01 -0.269579D+02  0.442222D+01 -0.117495D+02
      3  -0.908821D+01  0.706483D+01 -0.221757D+02  0.809417D+01 -0.188204D+01
      4  -0.294802D+02  0.196365D+02 -0.277495D+02  0.266045D+02 -0.303961D+02
      5   0.208179D+02 -0.318418D+02  0.436419D+02 -0.334095D+02  0.616535D+02
      6  -0.675876D+01  0.105370D+02 -0.110584D+02  0.112936D+02 -0.132196D+02
               226           227           228           229           230 
      1  -0.686641D+00 -0.340332D+01 -0.188433D+02 -0.657121D+01 -0.104519D+02
      2  -0.291158D+01 -0.681119D+00 -0.160858D+01  0.474383D+01  0.937292D+00
      3   0.359822D+01  0.408444D+01  0.204518D+02  0.182739D+01  0.951465D+01
      4  -0.188618D+01 -0.392165D+01 -0.283970D+01 -0.153789D+01 -0.732916D+01
      5  -0.441327D+01 -0.645957D+00 -0.829961D+01  0.623174D+01 -0.759102D+01
      6   0.143070D+01  0.362148D+01  0.158858D+01  0.584012D+00  0.654110D+01
               231           232           233           234           235 
      1  -0.137781D+02 -0.116588D+02 -0.848960D+01 -0.355559D+02  0.431644D+00
      2  -0.746859D+01  0.540393D+01 -0.383578D+01 -0.194865D+02  0.213450D+01
      3   0.212467D+02  0.625484D+01  0.123254D+02  0.550425D+02 -0.256615D+01
      4  -0.104189D+02 -0.134957D+01 -0.907110D+01 -0.124192D+02  0.331807D+01
      5  -0.232594D+02  0.853615D+01 -0.910211D+01 -0.451645D+02  0.749495D+00
      6   0.945143D+01  0.743869D+00  0.868016D+01  0.750724D+01 -0.213699D+01
               236           237           238           239           240 
      1   0.991271D+01 -0.603772D+01  0.135169D+02 -0.203115D+02  0.441875D+01
      2  -0.766640D+01 -0.317260D+00 -0.831231D+01  0.219119D+02 -0.137192D+00
      3  -0.224631D+01  0.635498D+01 -0.520463D+01 -0.160038D+01 -0.428156D+01
      4  -0.640064D+01  0.148323D+01  0.432127D+01  0.331499D+02 -0.766352D+01
      5  -0.867459D+00 -0.524426D+01 -0.942127D+01 -0.360518D+01  0.101423D+02
      6   0.594146D+01 -0.280592D+01  0.113365D+00 -0.218051D+02  0.911002D+01
               241           242           243           244           245 
      1   0.548621D+00  0.207350D+01 -0.737231D+01  0.117337D+03  0.106043D+02
      2  -0.172157D+01 -0.843755D+00  0.241324D+01 -0.685451D+02 -0.522842D+01
      3   0.117295D+01 -0.122975D+01  0.495907D+01 -0.487924D+02 -0.537592D+01
      4   0.132724D+01 -0.151179D+01  0.137361D+01  0.256549D+02  0.155852D+02
      5  -0.211089D+01  0.137944D+01  0.974155D+00 -0.678002D+02 -0.808431D+01
      6  -0.887525D+00  0.501988D+01 -0.961411D+00 -0.643943D+01 -0.552178D+01
               246           247           248           249           250 
      1  -0.232287D+02  0.790691D+01  0.745296D+01 -0.260326D+01 -0.742703D+01
      2   0.203665D+02 -0.366828D+01 -0.282409D+01  0.331111D+00  0.896757D+01
      3   0.286218D+01 -0.423863D+01 -0.462886D+01  0.227215D+01 -0.154054D+01
      4  -0.691201D+01  0.161520D+02  0.668123D+01 -0.474393D+01 -0.172932D+01
      5   0.326814D+02 -0.483855D+01 -0.624742D+01  0.261754D+00  0.202322D+02
      6   0.398417D+01 -0.499942D+01 -0.290479D+01  0.317701D+01  0.254028D+01
               251           252           253           254           255 
      1  -0.155819D+01  0.801650D+01  0.732896D+02 -0.229105D+02  0.325545D+02
      2   0.211200D+00 -0.948699D+01 -0.479137D+02  0.126528D+02 -0.247347D+02
      3   0.134700D+01  0.147049D+01 -0.253759D+02  0.102577D+02 -0.781981D+01
      4  -0.196630D+01  0.487511D+00 -0.267249D+02  0.222533D+02 -0.731175D+01
      5   0.112786D+01 -0.120352D+02  0.559172D+02 -0.115598D+02  0.391922D+02
      6   0.186947D+01 -0.355129D+00 -0.760751D+01  0.763528D+01 -0.401031D+01
               256           257           258           259           260 
      1  -0.383750D+02  0.111944D+02 -0.851618D+01  0.427402D+02 -0.587171D+01
      2   0.282467D+02 -0.571958D+01  0.154717D+02 -0.393013D+02  0.101453D+02
      3   0.101283D+02 -0.547477D+01 -0.695548D+01 -0.343891D+01 -0.427362D+01
      4   0.243150D+02 -0.355246D+02  0.202778D+02 -0.154036D+02  0.299598D+02
      5  -0.312084D+02  0.206067D+02 -0.358039D+02  0.651602D+02 -0.242760D+02
      6   0.934247D+01 -0.143111D+02  0.130440D+02 -0.524486D+01  0.169993D+02
               261           262           263           264           265 
      1   0.130657D+02 -0.269546D+01  0.131478D+02  0.142421D+01  0.996636D+01
      2  -0.401652D+02  0.517903D+01 -0.609957D+01 -0.253961D+00  0.338864D+00
      3   0.270995D+02 -0.248357D+01 -0.704823D+01 -0.117025D+01 -0.103052D+02
      4  -0.234133D+02  0.182893D+01 -0.128925D+01 -0.117975D+02  0.122445D+02
      5   0.733762D+02 -0.882306D+01 -0.763909D+01 -0.998873D+01 -0.121666D+02
      6  -0.126073D+02 -0.240730D+01 -0.596961D+01 -0.869634D+01 -0.591145D+01
               266           267           268           269           270 
      1  -0.113112D+02 -0.631141D+01 -0.822877D+01 -0.655388D+01 -0.776507D+01
      2   0.307390D+02  0.589777D+01  0.426341D+01  0.220999D+01  0.668313D+01
      3  -0.194278D+02  0.413633D+00  0.396536D+01  0.434389D+01  0.108194D+01
      4   0.317718D+02 -0.130455D+02 -0.239937D+02 -0.237104D+02 -0.186914D+02
      5  -0.128355D+02 -0.143704D+02 -0.202543D+02 -0.170265D+02 -0.373599D+02
      6   0.376042D+01 -0.101423D+01 -0.135512D+02 -0.690786D+01 -0.173533D+02
               271           272           273           274           275 
      1   0.964769D+01  0.711773D+01  0.753248D+01  0.448177D+01 -0.278559D+01
      2  -0.465681D+01 -0.307479D+01 -0.473022D+01  0.177874D+00  0.632044D+01
      3  -0.499088D+01 -0.404294D+01 -0.280226D+01 -0.465965D+01 -0.353485D+01
      4   0.177281D+02  0.159506D+02  0.131840D+02  0.141712D+02  0.233344D+02
      5   0.154622D+02  0.117931D+02  0.164909D+02  0.927342D+01  0.122833D+02
      6   0.876455D+01  0.670690D+01  0.755693D+01  0.660368D+01  0.119257D+02
               276           277           278           279 
      1  -0.135957D+01  0.790970D+01 -0.197652D+01 -0.236998D+01
      2   0.238168D+01 -0.686650D+01  0.222612D+00 -0.672552D+01
      3  -0.102211D+01 -0.104319D+01  0.175391D+01  0.909550D+01
      4   0.133275D+02  0.236022D+02  0.306924D+02  0.306124D+02
      5   0.142213D+02  0.284803D+02  0.277510D+02  0.435537D+02
      6   0.103430D+02  0.147661D+02  0.200074D+02  0.246618D+02
 Leave Link  716 at Thu Oct  7 18:52:43 2021, MaxMem=  8589934592 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.306513D+03 -0.200905D+02 -0.821837D+01
      2  -0.200905D+02  0.187212D+03 -0.486515D+01
      3  -0.821837D+01 -0.486515D+01  0.125874D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.120986D+02  0.199122D+02  0.356692D+01
      2  -0.853321D+02 -0.311613D+01 -0.274291D+02
      3   0.110547D+03 -0.405254D+02 -0.414620D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.457540D+03 -0.117428D+03 -0.941652D+02
      2  -0.197697D+03  0.965617D+02  0.982011D+01
      3  -0.259843D+03  0.208664D+02  0.843451D+02
      4  -0.727032D+02  0.874649D+02 -0.717818D+01
      5  -0.134295D+02 -0.751152D+00 -0.898278D+02
      6  -0.474058D+01  0.190457D+02 -0.247446D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.374205D+02 -0.734563D+01 -0.116880D+01 -0.444177D+01  0.337635D+01
      2  -0.734563D+01  0.968908D+01 -0.757161D-01  0.337635D+01 -0.129317D+02
      3  -0.116880D+01 -0.757161D-01  0.375124D+01  0.546459D+00  0.134557D+01
                 6             7             8             9            10 
      1   0.546459D+00 -0.182789D+01  0.100271D+01  0.714853D+01  0.435454D+01
      2   0.134557D+01  0.100271D+01  0.132916D+00 -0.121929D+01  0.144050D+01
      3  -0.647493D-01  0.714853D+01 -0.121929D+01 -0.135498D+01 -0.872253D-01
                11            12            13            14            15 
      1   0.144050D+01 -0.872253D-01 -0.148741D+02  0.337030D+01  0.112564D+01
      2   0.101878D+02 -0.152612D+01  0.337030D+01  0.327987D+01 -0.132599D+01
      3  -0.152612D+01  0.251829D+01  0.112564D+01 -0.132599D+01 -0.161021D+01
                16            17            18            19            20 
      1   0.176612D+01 -0.429301D+00  0.384433D+01 -0.382681D+02  0.122950D+02
      2  -0.429301D+00 -0.201456D+01 -0.294562D+01  0.122950D+02 -0.887385D+01
      3   0.384433D+01 -0.294562D+01 -0.166647D+00  0.148686D+01  0.584407D+00
                21            22            23            24            25 
      1   0.148686D+01  0.202702D+02 -0.599368D+01 -0.720560D+00  0.184944D+01
      2   0.584407D+00 -0.599368D+01  0.705747D+01  0.429168D+00 -0.124833D+00
      3  -0.453844D+00 -0.720560D+00  0.429168D+00  0.232148D+01  0.416546D+00
                26            27            28            29            30 
      1  -0.124833D+00  0.416546D+00  0.397571D+02 -0.112763D+02 -0.136489D+01
      2   0.111447D+01  0.451793D+01 -0.112763D+02  0.333308D+01  0.405517D+00
      3   0.451793D+01 -0.121583D+01 -0.136489D+01  0.405517D+00  0.128214D-01
                31            32            33            34            35 
      1   0.453195D+02 -0.842910D+01 -0.308711D+01 -0.852548D+01  0.222830D+01
      2  -0.842910D+01  0.879838D+01  0.234108D+00  0.222830D+01 -0.103646D+01
      3  -0.308711D+01  0.234108D+00 -0.143086D+00  0.129215D+01  0.978020D+00
                36            37            38            39            40 
      1   0.129215D+01 -0.428182D+02  0.120264D+02  0.139708D+01 -0.414943D+02
      2   0.978020D+00  0.120264D+02 -0.765237D+01 -0.598877D+00  0.713520D+01
      3  -0.290965D+00  0.139708D+01 -0.598877D+00  0.157919D+00  0.282482D+01
                41            42            43            44            45 
      1   0.713520D+01  0.282482D+01  0.865773D+01 -0.201202D+01 -0.138806D+01
      2  -0.633257D+01 -0.533270D-01 -0.201202D+01  0.127193D+01 -0.898108D+00
      3  -0.533270D-01 -0.294439D-01 -0.138806D+01 -0.898108D+00  0.408121D+00
                46            47            48            49            50 
      1  -0.334738D+01 -0.309778D+01  0.779659D+00 -0.262916D+01  0.460997D+01
      2  -0.309778D+01 -0.514631D+01  0.330912D+00  0.460997D+01 -0.269673D+01
      3   0.779659D+00  0.330912D+00 -0.230388D+01 -0.742198D+00 -0.787553D+00
                51            52            53            54            55 
      1  -0.742198D+00  0.712228D+00 -0.564985D+00 -0.457018D+00  0.842719D+01
      2  -0.787553D+00 -0.564985D+00 -0.515601D-01 -0.412951D+01  0.129574D+01
      3  -0.118374D+01 -0.457018D+00 -0.412951D+01  0.138313D+01 -0.151688D+01
                56            57            58            59            60 
      1   0.129574D+01 -0.151688D+01  0.845125D+00 -0.376621D+01  0.718081D+00
      2   0.990256D+01  0.105634D+00 -0.376621D+01  0.298225D+00  0.844876D+00
      3   0.105634D+00  0.183677D+01  0.718081D+00  0.844876D+00  0.132348D+01
                61            62            63            64            65 
      1  -0.717970D+00  0.830931D+00  0.103107D+01 -0.397971D+01 -0.162146D+01
      2   0.830931D+00  0.515516D-01  0.457193D+01 -0.162146D+01 -0.139807D+02
      3   0.103107D+01  0.457193D+01 -0.136991D+01  0.187101D+00  0.118242D+01
                66            67            68            69            70 
      1   0.187101D+00  0.114812D+02 -0.743183D+00 -0.574553D+00 -0.398567D+01
      2   0.118242D+01 -0.743183D+00 -0.687188D+01  0.116840D+01 -0.215735D-01
      3  -0.255474D+01 -0.574553D+00  0.116840D+01  0.132036D+01 -0.553923D+01
                71            72            73            74            75 
      1  -0.215735D-01 -0.553923D+01 -0.525663D+02  0.558177D+01  0.201523D+01
      2   0.294587D+01  0.276240D+01  0.558177D+01 -0.482140D+01  0.263899D+00
      3   0.276240D+01  0.704967D+00  0.201523D+01  0.263899D+00 -0.139349D+01
                76            77            78            79            80 
      1   0.840256D+01 -0.353752D+01 -0.113405D+01  0.110098D+01 -0.100429D+01
      2  -0.353752D+01  0.166715D+02 -0.123922D+01 -0.100429D+01 -0.891477D+00
      3  -0.113405D+01 -0.123922D+01 -0.553604D+00 -0.631139D+01  0.655633D+00
                81            82            83            84            85 
      1  -0.631139D+01  0.448404D+02 -0.119702D+02 -0.153320D+01 -0.231073D+02
      2   0.655633D+00 -0.119702D+02  0.111737D+02 -0.448813D+00  0.308748D+01
      3   0.114330D+01 -0.153320D+01 -0.448813D+00  0.179450D+00  0.522098D+00
                86            87            88            89            90 
      1   0.308748D+01  0.522098D+00 -0.376782D+01  0.235327D+00 -0.482637D+00
      2  -0.678099D+01  0.601836D-01  0.235327D+00 -0.921503D+00 -0.321435D+01
      3   0.601836D-01 -0.164158D+01 -0.482637D+00 -0.321435D+01  0.128604D+01
                91            92            93            94            95 
      1   0.107939D+02 -0.160922D+01 -0.980983D+00  0.624126D+01  0.222379D+01
      2  -0.160922D+01  0.200350D+01  0.574904D-01  0.222379D+01 -0.293029D+01
      3  -0.980983D+00  0.574904D-01  0.181238D+01 -0.489276D+00 -0.303252D+00
                96            97            98            99           100 
      1  -0.489276D+00  0.566916D+01  0.507561D+00  0.680994D+01 -0.827754D+01
      2  -0.303252D+00  0.507561D+00  0.150138D+00  0.230046D+01  0.410639D+01
      3   0.316336D+01  0.680994D+01  0.230046D+01 -0.283278D+00  0.117737D+00
               101           102           103           104           105 
      1   0.410639D+01  0.117737D+00 -0.234863D+01  0.405354D+01 -0.311050D+00
      2  -0.443778D+01  0.384100D-01  0.405354D+01  0.511944D+00 -0.489955D+00
      3   0.384100D-01 -0.121991D+00 -0.311050D+00 -0.489955D+00 -0.120783D+01
               106           107           108           109           110 
      1   0.110823D+01 -0.717212D+00  0.274453D+00 -0.595064D-01 -0.436682D+01
      2  -0.717212D+00  0.518208D+00  0.670918D+00 -0.436682D+01  0.191484D+01
      3   0.274453D+00  0.670918D+00 -0.512513D-01  0.266601D+00  0.765939D+00
               111           112           113           114           115 
      1   0.266601D+00 -0.266157D+01 -0.270404D+01  0.901533D+00 -0.249428D+00
      2   0.765939D+00 -0.270404D+01  0.212448D+01  0.112836D+01  0.971475D+00
      3  -0.206206D+00  0.901533D+00  0.112836D+01  0.635916D+01 -0.279349D+01
               116           117           118           119           120 
      1   0.971475D+00 -0.279349D+01  0.607577D+01 -0.319763D+01 -0.276892D+00
      2   0.596279D+00  0.488911D+01 -0.319763D+01  0.288523D+01  0.180301D-01
      3   0.488911D+01 -0.115345D+01 -0.276892D+00  0.180301D-01  0.300175D+00
               121           122           123           124           125 
      1  -0.484901D+01  0.463067D+01 -0.145218D+00 -0.264014D+00 -0.212544D+00
      2   0.463067D+01 -0.569133D+01  0.891916D-01 -0.212544D+00  0.271569D+00
      3  -0.145218D+00  0.891916D-01 -0.647563D+00 -0.470492D+00 -0.259798D-01
               126           127           128           129           130 
      1  -0.470492D+00  0.153745D+01  0.283413D+01 -0.363215D+00  0.357006D+01
      2  -0.259798D-01  0.283413D+01  0.228406D+01 -0.437772D+00  0.371828D+01
      3   0.136695D+00 -0.363215D+00 -0.437772D+00  0.499068D+00 -0.568466D+00
               131           132           133           134           135 
      1   0.371828D+01 -0.568466D+00 -0.501747D+00 -0.628585D+00  0.313921D+00
      2   0.791610D+01 -0.101110D+01 -0.628585D+00 -0.102470D+01  0.195711D+00
      3  -0.101110D+01  0.110423D+01  0.313921D+00  0.195711D+00 -0.205110D+00
               136           137           138           139           140 
      1  -0.792593D+00 -0.163664D+01  0.242017D+00 -0.547507D+00 -0.126316D+01
      2  -0.163664D+01 -0.241329D+01  0.400025D+00 -0.126316D+01 -0.934862D+01
      3   0.242017D+00  0.400025D+00 -0.285946D+00  0.119079D+00  0.103802D+01
               141           142           143           144           145 
      1   0.119079D+00  0.168123D+00  0.315390D+00  0.634509D-01  0.112601D+01
      2   0.103802D+01  0.315390D+00  0.119868D+01 -0.218616D+00  0.176677D+01
      3  -0.104133D+01  0.634509D-01 -0.218616D+00  0.148532D+00 -0.270765D+00
               146           147           148           149           150 
      1   0.176677D+01 -0.270765D+00  0.888183D+00  0.177684D+01 -0.145081D+00
      2   0.284393D+01 -0.422291D+00  0.177684D+01  0.107703D+02 -0.108031D+01
      3  -0.422291D+00  0.296096D+00 -0.145081D+00 -0.108031D+01  0.108582D+01
               151           152           153           154           155 
      1   0.282027D+00 -0.435092D+00  0.963388D-01 -0.588977D+01  0.353975D+01
      2  -0.435092D+00 -0.138942D+01  0.206710D+00  0.353975D+01 -0.371444D+01
      3   0.963388D-01  0.206710D+00 -0.117077D+00  0.290165D+00 -0.710941D-01
               156           157           158           159           160 
      1   0.290165D+00  0.396091D+01 -0.472978D+01  0.165309D+00  0.879255D-01
      2  -0.710941D-01 -0.472978D+01  0.641633D+01  0.243472D-01  0.297423D+00
      3  -0.474314D+00  0.165309D+00  0.243472D-01  0.797067D+00  0.377410D+00
               161           162           163           164           165 
      1   0.297423D+00  0.377410D+00 -0.197883D+01 -0.215521D+01  0.323263D+00
      2  -0.291606D+00  0.255134D+00 -0.215521D+01 -0.892248D+00  0.242359D+00
      3   0.255134D+00 -0.216465D+00  0.323263D+00  0.242359D+00 -0.425017D+00
               166           167           168           169           170 
      1  -0.327836D+01 -0.290516D+01  0.492886D+00 -0.495405D-01  0.343422D+00
      2  -0.290516D+01 -0.570868D+01  0.799033D+00  0.343422D+00  0.425525D+00
      3   0.492886D+00  0.799033D+00 -0.104462D+01 -0.422460D+00 -0.270329D+00
               171           172           173           174           175 
      1  -0.422460D+00 -0.168104D+01  0.223962D+01  0.208437D+00  0.479183D+01
      2  -0.270329D+00  0.223962D+01 -0.171175D+01 -0.234242D+00 -0.237504D+01
      3   0.342987D-01  0.208437D+00 -0.234242D+00 -0.947982D+00 -0.603816D+00
               176           177           178           179           180 
      1  -0.237504D+01 -0.603816D+00 -0.162683D+00 -0.271158D+00 -0.125861D+01
      2   0.505181D+01  0.400705D+00 -0.271158D+00  0.311332D+00  0.555073D+00
      3   0.400705D+00  0.111680D+01 -0.125861D+01  0.555073D+00  0.402327D+00
               181           182           183           184           185 
      1   0.100251D+02  0.140874D+01 -0.175103D+01 -0.218778D+01 -0.189821D+01
      2   0.140874D+01 -0.138921D+01 -0.473171D+00 -0.189821D+01  0.249422D+01
      3  -0.175103D+01 -0.473171D+00 -0.286486D+01  0.678236D+00 -0.426289D+00
               186           187           188           189           190 
      1   0.678236D+00  0.299545D+01  0.398022D+00 -0.401818D+01  0.485900D+01
      2  -0.426289D+00  0.398022D+00 -0.436015D-03 -0.311963D+01 -0.704861D+00
      3  -0.479978D+01 -0.401818D+01 -0.311963D+01 -0.101378D+01  0.297358D+01
               191           192           193           194           195 
      1  -0.704861D+00  0.297358D+01 -0.458760D+01 -0.858902D+00 -0.297794D+01
      2  -0.118186D+00 -0.939117D+00 -0.858902D+00  0.685148D-01 -0.151172D+00
      3  -0.939117D+00  0.155275D+01 -0.297794D+01 -0.151172D+00 -0.541513D+01
               196           197           198           199           200 
      1   0.391393D+01 -0.160213D+01  0.529462D+00  0.147695D+02  0.185794D+01
      2  -0.160213D+01  0.485602D+00 -0.252010D+01  0.185794D+01  0.100123D+01
      3   0.529462D+00 -0.252010D+01  0.717938D+00 -0.134453D+01 -0.190661D+00
               201           202           203           204           205 
      1  -0.134453D+01  0.572446D+01  0.164090D+01 -0.523650D+00 -0.175281D+01
      2  -0.190661D+00  0.164090D+01  0.132189D+01 -0.283934D+00 -0.225375D+00
      3   0.128659D+01 -0.523650D+00 -0.283934D+00  0.374443D+00  0.171676D+01
               206           207           208           209           210 
      1  -0.225375D+00  0.171676D+01 -0.957976D+00  0.185423D+00 -0.637190D+00
      2  -0.277571D+00 -0.207044D+00  0.185423D+00 -0.673576D+00 -0.165732D+00
      3  -0.207044D+00 -0.409241D+00 -0.637190D+00 -0.165732D+00 -0.627675D+00
               211           212           213           214           215 
      1  -0.222620D+01  0.230500D+01  0.153214D+01 -0.376744D+01  0.174678D+01
      2   0.230500D+01 -0.377516D+01 -0.271880D+01  0.174678D+01 -0.282103D+01
      3   0.153214D+01 -0.271880D+01 -0.325467D+01  0.281147D+01 -0.327877D+01
               216           217           218           219           220 
      1   0.281147D+01  0.384233D+00 -0.683522D-01  0.123480D+01 -0.194298D+01
      2  -0.327877D+01 -0.683522D-01 -0.210385D+00 -0.429784D+00  0.206635D+01
      3  -0.451541D+01  0.123480D+01 -0.429784D+00  0.672223D-01 -0.152963D+01
               221           222           223           224           225 
      1   0.206635D+01 -0.152963D+01  0.550763D+01 -0.221245D+01  0.344095D+01
      2  -0.240745D+01  0.174790D+01 -0.221245D+01  0.228527D+01 -0.287035D+01
      3   0.174790D+01 -0.260898D+01  0.344095D+01 -0.287035D+01  0.528422D+01
               226           227           228           229           230 
      1   0.145890D+00  0.418400D+00  0.910099D+00  0.170335D+01  0.311478D+00
      2   0.418400D+00  0.582058D+00  0.407128D+00  0.311478D+00  0.105038D+01
      3   0.910099D+00  0.407128D+00  0.255190D+01 -0.378264D+00  0.154094D+01
               231           232           233           234           235 
      1  -0.378264D+00  0.123755D+01  0.191597D+00  0.100292D+00  0.255571D+00
      2   0.154094D+01  0.191597D+00  0.134538D+01  0.166572D+01 -0.548231D+00
      3   0.374463D+01  0.100292D+00  0.166572D+01  0.786494D+01 -0.165911D+00
               236           237           238           239           240 
      1  -0.548231D+00 -0.165911D+00 -0.239440D+01 -0.387624D-01  0.502625D+00
      2   0.116702D+01 -0.348871D+00 -0.387624D-01 -0.515020D+01  0.116919D+01
      3  -0.348871D+00  0.111431D+01  0.502625D+00  0.116919D+01 -0.156757D+01
               241           242           243           244           245 
      1  -0.645775D+00 -0.238458D+00  0.489925D+00 -0.155493D+02 -0.190136D+01
      2  -0.238458D+00  0.384689D+00 -0.359129D+00 -0.190136D+01 -0.110169D+01
      3   0.489925D+00 -0.359129D+00  0.201089D+00  0.408841D+01  0.587753D+00
               246           247           248           249           250 
      1   0.408841D+01 -0.170386D+01 -0.129755D+01  0.276754D+00  0.116251D+01
      2   0.587753D+00 -0.129755D+01 -0.552724D+00  0.492800D+00  0.158509D+00
      3  -0.257033D+01  0.276754D+00  0.492800D+00  0.207531D+00 -0.145049D+01
               251           252           253           254           255 
      1   0.158509D+00 -0.145049D+01 -0.918044D+01  0.272897D+01 -0.454557D+01
      2  -0.601218D-02  0.483517D-01  0.272897D+01 -0.143363D+01  0.798655D+00
      3   0.483517D-01  0.100644D+01 -0.454557D+01  0.798655D+00 -0.293151D+01
               256           257           258           259           260 
      1   0.760492D+01 -0.186733D+01  0.287840D+01 -0.966014D+01  0.124325D+01
      2  -0.186733D+01  0.396962D+01 -0.217585D+01  0.124325D+01 -0.217846D+01
      3   0.287840D+01 -0.217585D+01  0.402857D+01 -0.596146D+01  0.262291D+01
               261           262           263           264           265 
      1  -0.596146D+01  0.205777D+01 -0.572568D+00  0.995314D+00 -0.439945D+01
      2   0.262291D+01 -0.572568D+00  0.115367D+01  0.132329D+01 -0.481415D+00
      3  -0.760506D+01  0.995314D+00  0.132329D+01  0.184700D+01  0.165371D+01
               266           267           268           269           270 
      1  -0.481415D+00  0.165371D+01  0.244397D+01  0.256563D+01  0.293573D+01
      2  -0.363242D+01  0.113790D+01  0.256563D+01  0.306163D+01  0.190264D+01
      3   0.113790D+01  0.178920D+01  0.293573D+01  0.190264D+01  0.484729D+01
               271           272           273           274           275 
      1  -0.148311D+01 -0.165333D+01 -0.150926D+01 -0.112961D+01 -0.141712D+01
      2  -0.165333D+01 -0.155103D+01 -0.114961D+01 -0.141712D+01 -0.299029D+01
      3  -0.150926D+01 -0.114961D+01 -0.162220D+01 -0.100691D+01 -0.160395D+01
               276           277           278           279 
      1  -0.100691D+01 -0.278461D+01 -0.233632D+01 -0.313922D+01
      2  -0.160395D+01 -0.233632D+01 -0.364622D+01 -0.352183D+01
      3  -0.192225D+01 -0.313922D+01 -0.352183D+01 -0.560086D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.774287D+00  0.515503D+01 -0.259160D+01  0.530700D+01 -0.129227D+01
      2  -0.112643D+02  0.470651D+01  0.572606D+00  0.720083D+01 -0.378868D+01
      3   0.756730D+01  0.176887D+02 -0.170927D+01  0.448354D+02 -0.459346D+01
                 6             7             8             9            10 
      1   0.329615D+01  0.270662D+00  0.146679D+02 -0.158583D+01 -0.289607D+00
      2  -0.650340D+00  0.228325D+01  0.312541D+01 -0.224747D+01 -0.205063D+01
      3  -0.312030D+01 -0.507555D+01 -0.285658D+01  0.380574D+01 -0.240070D+02
                11            12            13            14            15 
      1   0.379819D+01  0.575356D+01 -0.481794D+00 -0.213625D+00 -0.177388D+01
      2   0.130739D+01  0.821399D+01  0.124320D+01 -0.247974D+01 -0.397664D+01
      3   0.425644D+01 -0.152080D+00 -0.233649D+02 -0.107936D+02  0.344345D+01
                16            17            18            19            20 
      1   0.120908D+02  0.460071D+01 -0.273446D+01 -0.231618D+01 -0.413324D+01
      2  -0.571227D+01 -0.123447D+02  0.405662D+00  0.965783D+01 -0.609044D+01
      3   0.429731D+01  0.136112D+01  0.466171D+00 -0.357642D+02 -0.272760D+02
                21            22            23            24            25 
      1   0.103967D+01 -0.161773D+01  0.263962D+01 -0.327320D+01 -0.814312D+01
      2   0.313270D+01 -0.728914D+01  0.602745D+01  0.438702D+01 -0.172987D+02
      3   0.453552D+01  0.704188D+01  0.114679D+02 -0.285021D+01  0.460639D+01
                26            27            28            29            30 
      1   0.293644D+01  0.894537D+00  0.888589D+00  0.494329D+01 -0.955488D+00
      2   0.184847D+02 -0.195081D+01 -0.159924D+02  0.898156D+01 -0.466474D+01
      3  -0.151219D+01 -0.923601D+01  0.308569D+02  0.388805D+02 -0.596962D+01
                31            32            33            34            35 
      1   0.487474D+01  0.295008D+00  0.100522D+01 -0.591581D+01  0.692319D+01
      2  -0.694809D+01 -0.182179D+01  0.887855D+00 -0.197320D+02  0.159536D+01
      3   0.742736D+02 -0.312161D+02 -0.291530D+01 -0.816120D+01 -0.182608D+01
                36            37            38            39            40 
      1   0.245024D-01 -0.484275D+00  0.312454D+01 -0.798524D+00  0.344981D+01
      2   0.169123D+01  0.135993D+02  0.222319D+01 -0.415483D+00  0.120095D+02
      3   0.448435D+00 -0.198136D+02  0.451315D+02 -0.466795D+01  0.236638D+02
                41            42            43            44            45 
      1  -0.387061D+01 -0.358974D+00 -0.444253D+01  0.829163D+01 -0.324544D+00
      2  -0.525269D+01 -0.448125D+00 -0.229335D+02  0.257037D+01  0.152053D+01
      3  -0.301852D+02  0.140095D+01  0.299846D+01 -0.253696D+01  0.108796D+01
                46            47            48            49            50 
      1   0.218478D+01 -0.528194D+01 -0.500207D+01 -0.960119D+00  0.219199D+01
      2  -0.599865D+00 -0.467778D+01 -0.600998D+01 -0.118442D+01  0.194591D+01
      3   0.397841D+02 -0.344705D+02  0.319075D+01 -0.921019D+01  0.332593D+02
                51            52            53            54            55 
      1  -0.236213D+01 -0.696788D+01 -0.242395D+01  0.177285D+01  0.186331D+01
      2  -0.184166D+01 -0.232087D+02 -0.275234D+01  0.414289D+01  0.434591D+01
      3  -0.173987D+01  0.142032D+01  0.189425D+01  0.104016D+02  0.364276D+02
                56            57            58            59            60 
      1  -0.155708D+01 -0.515553D+01 -0.310841D+01  0.167712D+01 -0.337109D+01
      2  -0.581154D+01  0.570743D+00 -0.388776D+01  0.443070D+01 -0.341697D+00
      3  -0.323144D+02  0.149174D+01 -0.926868D+01  0.259939D+02 -0.133276D+01
                61            62            63            64            65 
      1  -0.800983D+01 -0.534781D+01  0.375234D+01  0.154732D+00 -0.193702D+01
      2  -0.174687D+02  0.150840D+00  0.156116D+01 -0.387361D+01  0.129424D+01
      3  -0.220689D+00  0.161133D+01  0.462759D+01 -0.195363D+02  0.429368D+01
                66            67            68            69            70 
      1   0.656808D+01  0.361089D+01 -0.193671D+01 -0.460507D+00  0.147173D+02
      2   0.356862D+01 -0.783693D+01 -0.102676D+01 -0.228652D+01 -0.357002D+01
      3  -0.165575D+01  0.959497D+01 -0.140623D+01 -0.144339D+01 -0.304131D+01
                71            72            73            74            75 
      1   0.568049D+01 -0.282529D+01 -0.733698D+01  0.191079D+01 -0.336606D+00
      2  -0.913558D+01  0.213688D+01  0.184117D+02 -0.153135D+01 -0.116983D+01
      3  -0.516606D+00 -0.633253D+01 -0.475561D+02  0.135503D+02  0.667681D+00
                76            77            78            79            80 
      1   0.115566D+01  0.525364D+01 -0.995473D-01  0.293728D+01  0.144949D+02
      2   0.854009D+00  0.639705D+00  0.201743D+01 -0.104507D+02  0.236800D+01
      3   0.367103D+02 -0.943547D+01  0.698621D+00 -0.194635D+01 -0.218050D+01
                81            82            83            84            85 
      1  -0.265371D+01  0.760208D+00 -0.748659D+00  0.111381D+01 -0.171548D+01
      2   0.206149D+01 -0.200843D+02  0.738992D+00  0.336593D+00  0.928107D+01
      3  -0.469677D+01  0.195471D+02 -0.400937D+02  0.440611D+01 -0.147378D+02
                86            87            88            89            90 
      1  -0.807052D+00 -0.914605D+00 -0.494655D+01  0.396843D+01 -0.612723D+00
      2   0.379927D+00  0.193264D+01 -0.186422D+02  0.918908D+01 -0.649843D+00
      3   0.548633D+01 -0.694449D+00 -0.931330D-01  0.212369D+01 -0.190116D+01
                91            92            93            94            95 
      1   0.432695D+01  0.227018D+01  0.890035D+00  0.503145D+01 -0.153595D+01
      2  -0.658485D+01  0.677347D+00 -0.555159D+00 -0.627325D+01 -0.104502D+01
      3   0.144614D+02  0.134812D+01  0.798280D+00  0.312662D+02 -0.163341D+02
                96            97            98            99           100 
      1  -0.511685D+01  0.428793D+01  0.206948D+01  0.135388D+01  0.166234D+01
      2  -0.916410D+01 -0.379411D+02 -0.811829D+01 -0.332289D+01  0.441677D+01
      3  -0.118369D+01  0.105368D+02 -0.120284D+01  0.156620D+02  0.153596D+01
               101           102           103           104           105 
      1  -0.534118D+01  0.350749D+01 -0.233725D+00 -0.122346D+01 -0.567711D+01
      2  -0.384902D+01  0.148886D+02 -0.140656D+01 -0.210987D+01 -0.707732D+01
      3  -0.447855D+02  0.208700D+01 -0.799775D+01 -0.552879D+01  0.209620D+01
               106           107           108           109           110 
      1   0.171155D+01 -0.168300D+01  0.176909D+00  0.953340D+00  0.203232D+01
      2  -0.615817D+01  0.246416D+01 -0.751537D+00  0.917049D+00  0.497854D+01
      3   0.650789D+00  0.483597D+01 -0.310037D+01  0.342850D+02  0.683529D+01
               111           112           113           114           115 
      1  -0.149603D+01  0.156356D+01 -0.824612D+00  0.743340D+01 -0.139338D+02
      2  -0.208066D+01  0.577921D+01  0.515638D+01  0.403666D+02 -0.200976D+02
      3  -0.704679D+01  0.266127D+02 -0.305897D+02 -0.745124D+01 -0.625769D+01
               116           117           118           119           120 
      1   0.950928D+01 -0.245346D+01 -0.134788D+01  0.497945D+00  0.184404D+01
      2   0.313877D+02 -0.776484D+01 -0.223914D+01  0.593494D+00  0.164414D+01
      3  -0.507564D+01 -0.311270D+02 -0.490887D+01 -0.490744D+01  0.730789D+00
               121           122           123           124           125 
      1   0.471895D-01 -0.187430D+00 -0.310727D+01 -0.267075D+01  0.133575D+01
      2   0.235273D+00 -0.239028D+00 -0.324943D+01 -0.289279D+01  0.241517D+00
      3  -0.453240D+01  0.133949D+02 -0.224283D+00  0.164184D+01 -0.898119D+00
               126           127           128           129           130 
      1   0.361131D+00  0.123881D+00  0.154196D+00 -0.154415D+01  0.334582D+00
      2   0.677714D+00 -0.839983D+00 -0.108404D+01  0.204775D+01 -0.104902D+01
      3   0.100629D+01 -0.423694D+01 -0.438771D+01  0.800091D+00 -0.178911D+01
               131           132           133           134           135 
      1  -0.183193D+00 -0.401891D+01  0.260821D-01  0.180413D+01  0.433520D+00
      2  -0.267990D+01  0.398140D+01 -0.186519D+01 -0.372712D-01 -0.415456D+00
      3  -0.189808D+02  0.205040D+01  0.865552D+00  0.225681D+01  0.185747D+00
               136           137           138           139           140 
      1   0.324003D+00  0.779698D-01 -0.156917D+01 -0.774294D-01 -0.519949D+00
      2   0.962312D+00  0.893523D+00  0.121322D+00  0.605086D+00  0.187739D+01
      3   0.835456D+01  0.540288D+01 -0.123378D+01  0.630534D+01  0.189794D+02
               141           142           143           144           145 
      1  -0.455248D+01  0.566052D+00  0.300089D+01  0.167252D+00  0.100775D+01
      2  -0.580602D+00 -0.362758D+00 -0.466682D-01 -0.105067D+00  0.465751D+00
      3  -0.220370D+01 -0.158925D+01 -0.271757D+01 -0.188213D+00  0.591078D+01
               146           147           148           149           150 
      1   0.107410D+01 -0.190311D+01  0.720424D+00  0.278947D+01 -0.565598D+01
      2  -0.411314D-01  0.905585D+00  0.250903D+00 -0.156426D+00  0.126425D+01
      3   0.255737D+01 -0.831228D+00  0.578842D+01  0.396086D+01 -0.618079D+00
               151           152           153           154           155 
      1   0.127063D+01  0.227755D+01  0.301096D+00  0.115769D+00 -0.465736D+00
      2  -0.136935D+01  0.104403D+01 -0.553771D+00 -0.786127D-01 -0.223077D+00
      3  -0.718624D+00 -0.112233D+01 -0.689892D+00 -0.106009D+02  0.945881D+00
               156           157           158           159           160 
      1   0.277363D+01 -0.173303D+01  0.160059D+01 -0.372917D+01 -0.275713D+01
      2   0.193503D+01 -0.866484D+00  0.454182D+00 -0.281903D+01 -0.241062D+01
      3   0.490259D+00  0.387700D+01  0.721414D+00  0.306982D+00  0.139962D+01
               161           162           163           164           165 
      1   0.102893D+01  0.688638D+00 -0.835217D+00 -0.192892D-01 -0.157757D+01
      2   0.116805D-02  0.394103D+00  0.401812D+00  0.497126D+00  0.267607D+00
      3   0.225998D+00  0.954228D+00  0.189441D+01  0.878473D+00  0.171919D-02
               166           167           168           169           170 
      1  -0.722550D+00 -0.209116D+01 -0.352969D+01 -0.156834D+01  0.207835D+01
      2   0.123881D+01 -0.938937D-01  0.171604D+01 -0.168613D+01 -0.865365D+00
      3   0.529663D+01 -0.451703D+01  0.297864D+00 -0.139753D+01  0.475291D+00
               171           172           173           174           175 
      1   0.580718D-01  0.972058D+00 -0.714208D+00  0.102902D+01 -0.216865D+00
      2   0.712586D+00 -0.479504D-01 -0.392573D+00  0.400371D+01 -0.204048D-01
      3   0.686764D+00  0.840218D+01 -0.693415D+01 -0.904313D+00 -0.163855D+01
               176           177           178           179           180 
      1   0.278609D+01 -0.247419D+01  0.141932D+00  0.163136D+01  0.364289D+00
      2   0.322725D+00 -0.411254D+01  0.236428D+01 -0.128810D+01 -0.796187D+00
      3   0.184652D+02  0.445860D+00 -0.167758D+01  0.121055D+01  0.942706D+00
               181           182           183           184           185 
      1   0.261060D+01 -0.569009D+01 -0.215124D+01 -0.367553D+01  0.732421D+01
      2  -0.129305D+02 -0.200808D+01  0.174848D+02 -0.362767D+01  0.596025D+01
      3  -0.188967D+01 -0.127770D+02  0.179817D+01 -0.125947D+02  0.146663D+02
               186           187           188           189           190 
      1  -0.507526D+01  0.941383D+00 -0.407448D+00 -0.940195D+01 -0.659217D+00
      2   0.166870D+02  0.130136D+02  0.107661D+02  0.104374D+02  0.948556D+01
      3   0.985445D+00  0.691497D+01 -0.385301D+00 -0.125627D+02 -0.784271D+01
               191           192           193           194           195 
      1  -0.848761D+01 -0.434150D+01 -0.762812D+01  0.252477D+01  0.344491D+00
      2   0.525913D+01  0.363592D+01  0.218667D+02  0.190613D+01  0.201937D+02
      3  -0.613787D+01 -0.613503D+01 -0.766431D+01 -0.240196D+00  0.170519D+01
               196           197           198           199           200 
      1   0.135345D+01 -0.241178D+01  0.193923D+00 -0.154984D+01 -0.858235D+00
      2  -0.525449D+01  0.817109D+01 -0.140559D+02 -0.422754D+01 -0.799959D+00
      3  -0.658691D+01  0.201812D+02 -0.112445D+02 -0.216972D+02 -0.112519D+02
               201           202           203           204           205 
      1   0.431897D+00 -0.788683D+00 -0.687236D+00 -0.677563D+00  0.166354D+01
      2   0.987432D+01 -0.177235D+01 -0.122147D+01  0.261879D+01  0.797054D+01
      3   0.234329D+01 -0.124186D+02 -0.923333D+01  0.205293D+01  0.266824D+01
               206           207           208           209           210 
      1   0.222040D+00 -0.602575D-01  0.787971D+00 -0.172099D-02 -0.139752D+01
      2  -0.123005D+01 -0.212315D+01 -0.531788D+01 -0.124850D+01 -0.298190D+01
      3   0.228231D+01  0.699087D+00  0.152992D+01  0.289824D+01  0.180266D+01
               211           212           213           214           215 
      1   0.833805D+00  0.625700D-01 -0.402414D+01  0.286309D+01  0.214656D+00
      2   0.577828D+01 -0.141159D+02 -0.187396D+02  0.112967D+02 -0.187706D+02
      3  -0.108101D+02  0.272949D+02  0.157477D+02 -0.706892D+01  0.188488D+02
               216           217           218           219           220 
      1  -0.464890D+01  0.193276D+00 -0.240946D+00 -0.154960D+00 -0.202572D+01
      2  -0.246354D+02  0.848348D+01 -0.269342D+01  0.114207D+01 -0.776809D+01
      3   0.195810D+02  0.191384D+01 -0.488086D+00  0.185892D+01 -0.102172D+02
               221           222           223           224           225 
      1   0.213477D+01 -0.438691D+01  0.517427D+01 -0.114901D+01  0.739289D+01
      2   0.102387D+02 -0.160924D+02  0.161754D+02 -0.178164D+02  0.315543D+02
      3   0.186919D+02 -0.103601D+02  0.916966D+01 -0.161122D+02  0.174071D+02
               226           227           228           229           230 
      1   0.108764D+01  0.282345D+01  0.126761D+01  0.173194D+01  0.369196D+01
      2  -0.554360D+01 -0.218321D+01 -0.988214D+01 -0.246378D+01 -0.615871D+01
      3   0.151946D+01  0.222968D+01  0.114436D+00  0.316034D+01  0.330407D+01
               231           232           233           234           235 
      1   0.293458D+01  0.672770D+00  0.624320D+01  0.689250D+01 -0.275147D+01
      2  -0.127796D+02 -0.559896D+01 -0.704745D+01 -0.284568D+02 -0.153969D+01
      3   0.402125D+01 -0.229895D+00  0.394791D+01  0.399715D+01 -0.667345D+01
               236           237           238           239           240 
      1   0.308467D+01  0.121578D+01  0.147195D+01 -0.115609D+02 -0.159707D+01
      2   0.257615D+01 -0.290222D+01  0.269753D+01 -0.592076D+01  0.447580D+01
      3   0.590194D+01 -0.810662D+00  0.502459D+01 -0.210457D+02  0.388498D+01
               241           242           243           244           245 
      1   0.414524D+00  0.100628D+01 -0.152774D+01 -0.184915D+01 -0.302562D+01
      2  -0.152814D+01  0.123022D+01 -0.159023D+01  0.113292D+02  0.328142D+00
      3   0.855720D+00  0.824535D+00 -0.219590D+01 -0.199953D+01 -0.764783D+01
               246           247           248           249           250 
      1  -0.388452D+00 -0.202073D+01 -0.161996D+01 -0.119514D+00 -0.367141D+00
      2   0.686628D+01  0.156554D+01 -0.261998D+00 -0.997229D+00  0.184862D+01
      3   0.164767D+01 -0.310916D+01 -0.336050D+01  0.143650D+01 -0.129491D+01
               251           252           253           254           255 
      1   0.965144D+00  0.785767D+00 -0.433170D+01  0.580773D+01  0.291352D+01
      2  -0.597515D+00 -0.170533D+01  0.853556D+01 -0.202903D+01  0.116797D+02
      3   0.129592D+01  0.725877D+00  0.901737D+01 -0.105232D+02  0.367104D+01
               256           257           258           259           260 
      1   0.412512D+01 -0.641063D+01 -0.203345D+01 -0.127543D+01  0.105133D+02
      2  -0.157259D+02  0.675996D+01 -0.155700D+02  0.193148D+02 -0.913220D+01
      3  -0.328613D+00  0.189843D+02 -0.833681D+01 -0.443335D+01 -0.192323D+02
               261           262           263           264           265 
      1  -0.109736D+00  0.448842D+01  0.946517D+00  0.246919D+01 -0.197866D+01
      2   0.333856D+02 -0.551610D+01 -0.660591D+01 -0.444458D+01 -0.474551D+01
      3   0.845403D+01 -0.214353D+01  0.284597D+01  0.440741D+01  0.207666D+01
               266           267           268           269           270 
      1   0.303164D+01 -0.655319D+01  0.143199D+01  0.102450D+01  0.673101D+01
      2  -0.314226D+01 -0.612813D+01 -0.945862D+01 -0.582873D+01 -0.157526D+02
      3  -0.176703D+02  0.455255D+01  0.762743D+01  0.822004D+01  0.422675D+01
               271           272           273           274           275 
      1   0.201762D-01  0.801644D+00 -0.145383D+01 -0.116443D+01 -0.606477D+00
      2   0.360966D+01  0.378150D+01  0.515065D+01  0.225937D+01  0.541549D+01
      3  -0.429368D+01 -0.525400D+01 -0.329441D+01 -0.259155D+01 -0.958512D+01
               276           277           278           279 
      1  -0.300718D+01 -0.158100D+01  0.538849D+00 -0.583915D+01
      2   0.632645D+01  0.811935D+01  0.122665D+02  0.203044D+02
      3  -0.476157D+01 -0.586015D+01 -0.134205D+02 -0.120910D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.124267D+03 -0.380046D+02 -0.447416D+01  0.323565D+01 -0.216692D+02
      2  -0.692195D+02  0.251566D+02  0.896944D+00 -0.805025D+01  0.262961D+02
      3  -0.550474D+02  0.128480D+02  0.357722D+01  0.481460D+01 -0.462691D+01
      4  -0.173683D+02  0.276999D+02 -0.123654D+01 -0.219017D+02 -0.583818D+02
      5   0.993577D+00 -0.659938D+00  0.309596D+01  0.760009D+01  0.450336D+01
      6  -0.291770D+00  0.155909D+01  0.486408D+01  0.497471D+01 -0.356546D+01
                 6             7             8             9            10 
      1   0.392919D+01 -0.162717D+01  0.737006D+01  0.262492D+02  0.160226D+01
      2  -0.506292D+01  0.282151D+01 -0.638578D+01 -0.239351D+02 -0.170360D+01
      3   0.113373D+01 -0.119434D+01 -0.984285D+00 -0.231416D+01  0.101345D+00
      4   0.772948D+01  0.917844D+01  0.241620D+01 -0.317785D+01  0.292074D+02
      5  -0.171012D+01  0.520687D+02 -0.840263D+01 -0.403298D+01  0.435783D+01
      6  -0.475592D+01 -0.736499D+00  0.442435D+01  0.160797D+01 -0.538887D+01
                11            12            13            14            15 
      1   0.577526D+02 -0.395043D+01 -0.782661D+02  0.298826D+02  0.229438D+01
      2  -0.388332D+02  0.341790D+00  0.531978D+02 -0.251417D+02 -0.147545D+01
      3  -0.189195D+02  0.360864D+01  0.250684D+02 -0.474090D+01 -0.818936D+00
      4   0.400462D+02 -0.817416D+01  0.302512D+02  0.263203D+02 -0.802289D+01
      5  -0.944760D+01  0.176830D+02  0.410425D+01 -0.629575D+01 -0.982320D+01
      6   0.305578D+01 -0.117547D+02 -0.577509D+01  0.259686D+01  0.495021D+01
                16            17            18            19            20 
      1   0.121157D+02 -0.119238D+02  0.343734D+00 -0.118187D+03  0.183897D+02
      2  -0.107958D+02  0.929092D+01 -0.674085D+01  0.552149D+02 -0.916060D+01
      3  -0.131991D+01  0.263286D+01  0.639711D+01  0.629718D+02 -0.922915D+01
      4  -0.672606D+01 -0.934821D+01 -0.166316D+02  0.226639D+02 -0.342302D+02
      5   0.269720D+02 -0.185550D+02  0.286136D+01  0.788114D+01  0.608566D+01
      6  -0.159132D+02  0.114196D+02  0.269007D+01  0.520905D+01  0.105321D+01
                21            22            23            24            25 
      1   0.651109D+01  0.939906D+02 -0.168375D+02 -0.699908D+01  0.198725D+01
      2  -0.313135D+01 -0.603167D+02 -0.272189D+01  0.623954D+01  0.118319D+01
      3  -0.337974D+01 -0.336739D+02  0.195594D+02  0.759539D+00 -0.317045D+01
      4   0.538608D+01 -0.152352D+02  0.221143D+02  0.309601D+01  0.309603D+01
      5   0.366568D+01 -0.339183D+01  0.411266D+01  0.102931D+02  0.538577D+01
      6  -0.316018D+00  0.218205D+01  0.586640D+01  0.532415D+01  0.411556D+01
                26            27            28            29            30 
      1   0.214123D+01 -0.179678D+02  0.103304D+03 -0.966223D+01 -0.925909D+01
      2   0.317811D+01  0.125852D+01 -0.465667D+02  0.538276D+01  0.310540D+01
      3  -0.531933D+01  0.167093D+02 -0.567372D+02  0.427947D+01  0.615369D+01
      4   0.857493D+01  0.259601D+02 -0.229049D+02  0.489613D+01  0.659271D+00
      5   0.268727D+02 -0.366679D+01 -0.676311D+01 -0.131318D+01 -0.842241D+01
      6   0.157470D+02 -0.155920D+01 -0.370895D+01  0.145697D+01  0.107673D+01
                31            32            33            34            35 
      1   0.941221D+02 -0.334344D+02 -0.573636D+01 -0.206677D+02  0.368724D+01
      2  -0.441829D+02  0.295427D+02  0.885998D+00  0.948009D+01 -0.314989D+01
      3  -0.499392D+02  0.389171D+01  0.485037D+01  0.111876D+02 -0.537343D+00
      4  -0.175132D+02  0.157914D+02 -0.521193D+00  0.419384D+01 -0.619454D+00
      5   0.349879D+01 -0.278235D+01  0.283056D+00 -0.945712D-01  0.304816D+01
      6  -0.311997D+01  0.316035D+00 -0.214595D+01  0.424056D+01  0.446230D+01
                36            37            38            39            40 
      1  -0.720722D+01 -0.952490D+02  0.528170D+02  0.658068D+00 -0.901926D+02
      2  -0.152843D+01  0.510811D+02 -0.329619D+02 -0.148159D+01  0.487384D+02
      3   0.873565D+01  0.441679D+02 -0.198550D+02  0.823520D+00  0.414542D+02
      4   0.311843D+01  0.556933D+02 -0.490299D+01 -0.285896D+01 -0.674239D+01
      5   0.239164D+01  0.514896D+00 -0.139328D+01  0.827742D+00 -0.104037D+01
      6   0.830406D+00 -0.771285D+00 -0.982712D+00  0.119015D+01  0.403119D+01
                41            42            43            44            45 
      1  -0.154579D+01  0.691695D+01  0.152589D+02 -0.651697D+01 -0.120762D+02
      2   0.442032D+01 -0.491642D+01 -0.753815D+01  0.372160D+01 -0.382936D+00
      3  -0.287453D+01 -0.200053D+01 -0.772072D+01  0.279537D+01  0.124592D+02
      4  -0.481333D+01  0.133274D+01 -0.517624D+01  0.100453D+01  0.999333D+00
      5   0.270044D+01 -0.132242D+00 -0.927220D+00 -0.130995D+01  0.134222D+01
      6  -0.307784D+01 -0.104175D-01  0.214469D+01  0.320883D+01 -0.122792D+00
                46            47            48            49            50 
      1   0.709471D+01 -0.558260D+02  0.166602D+01 -0.174721D+00  0.269404D+02
      2  -0.696324D+01  0.353866D+02  0.452205D+00 -0.491868D+01 -0.253607D+02
      3  -0.131472D+00  0.204394D+02 -0.211822D+01  0.509341D+01 -0.157973D+01
      4  -0.383740D+02 -0.319857D+02  0.513236D+01  0.340557D+02 -0.171875D+02
      5  -0.257273D+01  0.585063D+01 -0.135782D+02 -0.176875D+01 -0.348441D+00
      6   0.480667D+01  0.226101D+01  0.959588D+01  0.425168D+00  0.592505D+01
                51            52            53            54            55 
      1  -0.523223D+01 -0.275949D+01 -0.468807D+00 -0.218129D+02  0.120636D+02
      2   0.542260D+01  0.271830D+01  0.538180D+01  0.660244D+01 -0.102908D+02
      3  -0.190371D+00  0.411910D-01 -0.491299D+01  0.152104D+02 -0.177286D+01
      4  -0.144467D+01 -0.872793D+00  0.457530D+01 -0.117286D+02  0.725100D+01
      5  -0.157238D+01  0.736079D+00 -0.133497D+02  0.718356D+01  0.723822D+01
      6   0.562849D+01  0.235968D+00  0.201079D+02 -0.426416D+01  0.117439D+01
                56            57            58            59            60 
      1  -0.517205D+02 -0.741533D+00  0.206473D+02  0.624769D-01 -0.434389D+01
      2   0.436477D+02  0.549302D+00 -0.187363D+02 -0.114414D+02  0.528361D+01
      3   0.807283D+01  0.192231D+00 -0.191099D+01  0.113790D+02 -0.939727D+00
      4  -0.705119D+01  0.672034D+00 -0.938627D-01 -0.127117D+02  0.254971D+01
      5   0.329280D+01 -0.146592D+01 -0.208028D+01  0.221152D+01  0.166480D+01
      6   0.709190D+01  0.103237D+02  0.114109D+01  0.810839D+01  0.808084D+01
                61            62            63            64            65 
      1  -0.601689D+01  0.829633D+00 -0.250988D+02 -0.690577D+01  0.731577D+02
      2   0.556484D+01  0.312244D+01  0.144228D+02  0.157144D+01 -0.608761D+02
      3   0.452053D+00 -0.395207D+01  0.106761D+02  0.533433D+01 -0.122817D+02
      4   0.740641D+00  0.535522D+01  0.565856D+01  0.591592D+01 -0.157802D+02
      5   0.503731D+01  0.610249D+00  0.223002D+01 -0.292723D+00 -0.470568D+01
      6   0.450121D+01  0.266423D+02 -0.349831D+01 -0.304334D+01 -0.106387D+01
                66            67            68            69            70 
      1  -0.460815D+01 -0.228388D+02  0.349330D+02 -0.626097D+01  0.105797D+02
      2   0.328237D+01  0.274854D+02 -0.373074D+02  0.272750D+01 -0.826289D+01
      3   0.132577D+01 -0.464656D+01  0.237438D+01  0.353347D+01 -0.231680D+01
      4   0.253155D+00  0.790583D+01  0.122494D+02 -0.286005D+01 -0.246334D+01
      5   0.828422D+01  0.131491D+01 -0.565281D+01 -0.638598D+01  0.259865D+02
      6  -0.121168D+02 -0.670528D+01  0.701158D+00  0.358738D+01 -0.194943D+02
                71            72            73            74            75 
      1  -0.170104D+02 -0.136165D+02 -0.426757D+00  0.873906D+01  0.974838D+00
      2   0.137629D+02  0.376158D+01 -0.140550D+02 -0.111715D+02  0.298709D+01
      3   0.324751D+01  0.985495D+01  0.144817D+02  0.243240D+01 -0.396192D+01
      4  -0.416984D+00 -0.102460D+02  0.224116D+02  0.856504D+01 -0.231815D+01
      5  -0.775161D+01 -0.683160D+00 -0.741961D+01 -0.179113D+01  0.162711D+01
      6   0.162948D+02  0.615797D+01  0.270023D+01 -0.310928D+01 -0.338977D+01
                76            77            78            79            80 
      1   0.312322D+02 -0.716918D+02  0.431606D+01  0.107565D+02  0.482570D+01
      2  -0.218263D+02  0.690614D+02 -0.548176D+01 -0.195733D+01 -0.615667D+01
      3  -0.940591D+01  0.263042D+01  0.116570D+01 -0.879916D+01  0.133096D+01
      4  -0.377522D+02 -0.908867D+00  0.139793D+01  0.522401D+01 -0.196381D+01
      5   0.532961D+01  0.387490D+01  0.290772D+01  0.299903D+02 -0.186651D+01
      6   0.342298D+01  0.298056D+01 -0.217411D+01 -0.744485D+01  0.480091D+01
                81            82            83            84            85 
      1  -0.300061D+01  0.602579D+02 -0.586287D+02 -0.544614D+00  0.738836D+01
      2  -0.821151D+01 -0.334340D+02  0.434569D+02 -0.182279D+01 -0.177874D+02
      3   0.112121D+02 -0.268239D+02  0.151718D+02  0.236740D+01  0.103990D+02
      4   0.396407D+01 -0.504735D+02  0.337806D+01  0.392573D+01  0.249909D+02
      5  -0.387437D+01  0.315390D+01  0.384758D+01 -0.334661D+01 -0.188529D+01
      6   0.333628D+01  0.168059D+01  0.305924D+01  0.591399D+00  0.177060D+01
                86            87            88            89            90 
      1   0.332825D+02 -0.105267D+01 -0.482966D+01  0.633884D+01 -0.833709D+01
      2  -0.359831D+02  0.468280D+01  0.189226D+01  0.481339D+00 -0.603938D+01
      3   0.270065D+01 -0.363013D+01  0.293740D+01 -0.682018D+01  0.143765D+02
      4  -0.559808D+01 -0.191816D+00  0.668872D+01  0.172808D+01  0.362165D+01
      5   0.187550D+00  0.583537D+01  0.349750D+01  0.921461D+01 -0.928862D+00
      6   0.111604D+01  0.293857D+01  0.281966D+01  0.611354D+01 -0.263661D+01
                91            92            93            94            95 
      1   0.136108D+02  0.870176D+01 -0.590090D+01 -0.316132D+01 -0.130941D+02
      2  -0.807707D+01 -0.272875D+01 -0.518861D+01  0.135242D+02  0.205311D+01
      3  -0.553370D+01 -0.597301D+01  0.110895D+02 -0.103629D+02  0.110410D+02
      4  -0.562956D+01 -0.157280D+02 -0.319797D+01 -0.318516D+02  0.319336D+02
      5   0.267712D+01 -0.314707D+01 -0.992750D+01  0.354537D+01  0.393396D+01
      6  -0.509312D+01  0.338153D+01 -0.335846D+01  0.423138D+01 -0.556369D+01
                96            97            98            99           100 
      1  -0.537418D+01 -0.121820D+02 -0.321832D+01 -0.107103D+02  0.223392D+02
      2  -0.607731D+01  0.287280D+01  0.623341D+00  0.700358D+01 -0.146529D+02
      3   0.114515D+02  0.930924D+01  0.259498D+01  0.370676D+01 -0.768628D+01
      4   0.282369D+01 -0.463627D+01  0.856699D+00 -0.244338D+02  0.240839D+02
      5  -0.226145D+02 -0.521947D+02 -0.188729D+02  0.799716D+01 -0.277818D+01
      6  -0.376820D+01 -0.109438D+02 -0.473268D+01  0.248296D+01  0.259355D+00
               101           102           103           104           105 
      1   0.318845D+02  0.569517D+00 -0.471169D+01  0.175981D+02 -0.343325D+01
      2  -0.199071D+02  0.182127D+01  0.560263D+01 -0.767378D+01  0.265083D+01
      3  -0.119774D+02 -0.239078D+01 -0.890948D+00 -0.992437D+01  0.782419D+00
      4   0.755074D+01  0.370941D+00  0.459684D+02  0.944422D+01 -0.460141D+01
      5   0.275182D+00  0.290443D+02 -0.528812D+01 -0.276119D+01 -0.122978D+02
      6  -0.226407D+01 -0.636721D+01 -0.209393D+01  0.433192D+00  0.987908D+01
               106           107           108           109           110 
      1   0.484587D+00 -0.396861D+01  0.272808D+01 -0.689557D+02 -0.451802D+02
      2   0.138216D+01  0.329195D+01 -0.986320D+00  0.418737D+02  0.234749D+02
      3  -0.186675D+01  0.676663D+00 -0.174176D+01  0.270819D+02  0.217053D+02
      4  -0.501036D+01 -0.252639D+00  0.638961D+01 -0.429326D+02  0.983921D+01
      5   0.110577D+02  0.460467D+01 -0.406340D+01  0.958715D+01  0.913253D+01
      6   0.286047D+01  0.412900D+01 -0.146547D+01  0.257632D+01 -0.178256D+01
               111           112           113           114           115 
      1   0.100483D+02 -0.354138D+02 -0.111060D+01  0.179247D+02  0.539684D+01
      2  -0.622880D+01  0.158106D+02 -0.262898D-01 -0.840822D+01 -0.222738D+01
      3  -0.381946D+01  0.196033D+02  0.113689D+01 -0.951651D+01 -0.316946D+01
      4   0.817214D+01 -0.310993D+02  0.293535D+02  0.109652D+02  0.116215D+02
      5  -0.946970D+01  0.132382D+02  0.102939D+02  0.778692D+02 -0.321891D+02
      6   0.200087D+01  0.170748D+01 -0.557569D+01 -0.217251D+02  0.145467D+02
               116           117           118           119           120 
      1   0.149708D+02 -0.330003D+01  0.362932D+02 -0.128045D+02 -0.175753D+01
      2  -0.782203D+01 -0.135772D+01 -0.124327D+02 -0.538924D+00  0.922337D+00
      3  -0.714878D+01  0.465775D+01 -0.238605D+02  0.133434D+02  0.835197D+00
      4   0.542017D+01  0.523461D+02 -0.314202D+02  0.263220D+02  0.246485D+00
      5   0.556777D+02 -0.160448D+02 -0.298096D+00 -0.936648D+00  0.327185D+01
      6  -0.171930D+02 -0.179041D+00  0.447262D+00  0.569431D-01 -0.188657D+01
               121           122           123           124           125 
      1  -0.179323D+02  0.534386D+01  0.668168D-01 -0.235949D+01  0.481922D+00
      2  -0.292529D+01  0.152579D+02  0.213487D-01  0.213562D+01 -0.114220D+01
      3   0.208576D+02 -0.206017D+02 -0.881655D-01  0.223868D+00  0.660279D+00
      4   0.389591D+02 -0.443955D+02  0.777319D+00 -0.943521D+00  0.175711D+01
      5  -0.263980D+01  0.297050D+01 -0.552288D+01 -0.197021D+01 -0.693562D+00
      6   0.132756D+01 -0.128299D+01  0.483853D+01  0.131638D+01  0.118320D+01
               126           127           128           129           130 
      1  -0.158036D+01  0.263978D+01  0.763983D+01 -0.476593D+00  0.604289D+01
      2   0.138956D+01  0.417599D+01  0.183319D+01 -0.314589D-01  0.746273D+01
      3   0.190799D+00 -0.681577D+01 -0.947302D+01  0.508052D+00 -0.135056D+02
      4  -0.137103D+01  0.234747D+02  0.236847D+02 -0.370524D+01  0.312950D+02
      5   0.616513D+00 -0.209929D+01 -0.264539D+01  0.419028D+01 -0.300985D+01
      6  -0.548348D+00 -0.163887D+01 -0.198476D+01  0.250069D+01 -0.258249D+01
               131           132           133           134           135 
      1  -0.119677D+02  0.148179D+01 -0.595048D+00  0.366278D+00 -0.104448D+01
      2   0.292703D+02 -0.227468D+01 -0.539916D+00 -0.245454D+01  0.228200D+01
      3  -0.173027D+02  0.792891D+00  0.113496D+01  0.208826D+01 -0.123752D+01
      4   0.549978D+02 -0.673929D+01 -0.488861D+01 -0.755596D+01  0.249930D+01
      5  -0.421956D+01  0.700490D+01  0.273891D+01  0.860750D+00 -0.147231D+01
      6  -0.554443D+01  0.720886D+01  0.281749D+01  0.303294D+01 -0.186683D+01
               136           137           138           139           140 
      1  -0.663382D+01 -0.158423D+02  0.253886D+01 -0.740768D+01 -0.476318D+02
      2   0.704838D+01  0.153209D+02 -0.174278D+01  0.706377D+01  0.570396D+02
      3  -0.414558D+00  0.521356D+00 -0.796073D+00  0.343909D+00 -0.940780D+01
      4  -0.488580D+00  0.490764D+01 -0.607511D-01  0.287317D+01 -0.133799D+02
      5   0.477360D+00  0.434723D+00  0.962271D+00  0.104744D+00  0.388563D+01
      6  -0.135453D+01 -0.293499D+01  0.227952D+01 -0.941507D+00 -0.919890D+01
               141           142           143           144           145 
      1   0.568872D+01  0.149413D+01  0.659673D+01 -0.215004D+01 -0.590599D+01
      2  -0.495984D+01 -0.118734D+01 -0.680658D+01  0.215996D+01  0.944026D+01
      3  -0.728875D+00 -0.306793D+00  0.209850D+00 -0.992050D-02 -0.353427D+01
      4   0.184076D+01  0.145936D+00  0.118429D+01  0.152364D+01  0.792411D+01
      5  -0.229636D+01  0.160539D+01  0.426395D+00 -0.272098D+00  0.209292D+00
      6   0.805743D+01  0.307988D+00  0.327629D+01 -0.169926D+01 -0.994273D+00
               146           147           148           149           150 
      1  -0.113131D+02  0.200215D+01 -0.781473D+01 -0.536104D+02  0.562645D+01
      2   0.171547D+02 -0.204359D+01  0.108475D+02  0.756902D+02 -0.649896D+01
      3  -0.584160D+01  0.414338D-01 -0.303275D+01 -0.220798D+02  0.872509D+00
      4   0.164434D+02 -0.160699D+01  0.100666D+02  0.214215D+02 -0.177477D+01
      5  -0.930994D-01  0.228600D+01 -0.279269D+00  0.114976D+01  0.124052D+01
      6  -0.214353D+01  0.283299D+01 -0.818113D+00 -0.586597D+01  0.919498D+01
               151           152           153           154           155 
      1   0.103339D+01  0.711202D+01 -0.203290D+01  0.273354D+01  0.582025D+01
      2  -0.162566D+01 -0.912233D+01  0.245483D+01  0.977455D+01 -0.164460D+02
      3   0.592271D+00  0.201031D+01 -0.421932D+00 -0.125081D+02  0.106258D+02
      4  -0.124657D+01 -0.363543D+01  0.183642D+01 -0.287593D+02  0.254022D+02
      5  -0.174144D+00  0.187567D+01 -0.907950D+00 -0.168264D+01  0.410589D+00
      6  -0.513802D+00  0.343975D+01 -0.178886D+01  0.256717D+01 -0.226297D+01
               156           157           158           159           160 
      1   0.931347D-01  0.965299D+01 -0.204226D+02 -0.179575D+00 -0.206401D+01
      2   0.421765D-01 -0.223827D+02  0.373198D+02  0.111833D+00  0.211396D+01
      3  -0.135311D+00  0.127297D+02 -0.168972D+02  0.677425D-01 -0.499551D-01
      4   0.636935D+00  0.286312D+02 -0.348123D+02  0.115473D+00 -0.322500D+00
      5   0.372922D+01 -0.648692D+00  0.251588D+00 -0.398534D+01 -0.130043D+00
      6  -0.368289D+01 -0.107288D+01  0.236124D+01  0.606172D+01  0.165523D+01
               161           162           163           164           165 
      1   0.155812D+01 -0.309265D+00  0.415286D+01  0.141392D+00 -0.726860D-03
      2  -0.206123D+01  0.137830D+01 -0.187631D+01  0.611877D+00  0.496447D+00
      3   0.503109D+00 -0.106903D+01 -0.227655D+01 -0.753269D+00 -0.495720D+00
      4   0.109222D+01 -0.187977D+01  0.653351D+01  0.785551D+01 -0.100798D+01
      5  -0.177191D+01  0.635651D+00 -0.159823D+01 -0.147905D+01  0.274672D+01
      6   0.243103D+01 -0.818617D+00 -0.140261D+01 -0.127187D+01  0.116186D+01
               166           167           168           169           170 
      1  -0.313649D+01 -0.169449D+02  0.296893D+01  0.122498D+01  0.139113D+01
      2   0.494281D+01  0.197685D+02 -0.130141D+01 -0.609164D+00 -0.132991D+01
      3  -0.180632D+01 -0.282358D+01 -0.166752D+01 -0.615817D+00 -0.612208D-01
      4   0.120536D+02  0.166246D+02 -0.206493D+01 -0.906078D+00 -0.155105D+01
      5  -0.201585D+01 -0.161708D+01  0.377083D+01  0.346641D+01  0.591089D+00
      6  -0.288787D+01 -0.631069D+01  0.572583D+01  0.235001D+01  0.272448D+01
               171           172           173           174           175 
      1  -0.188156D+01  0.150507D+02 -0.128419D+02 -0.765842D+00 -0.195322D+02
      2   0.196809D+01 -0.250169D+01  0.346344D+01  0.993159D+00  0.597604D+01
      3  -0.865294D-01 -0.125490D+02  0.937844D+01 -0.227316D+00  0.135562D+02
      4   0.197536D+01 -0.224424D+02  0.197824D+02  0.252077D+01  0.254265D+02
      5   0.902317D-01 -0.398158D+01  0.335034D+01  0.859641D+01  0.645668D+01
      6  -0.105044D+01  0.371392D+01 -0.274181D+01 -0.518399D+00 -0.402259D+01
               176           177           178           179           180 
      1   0.538504D+01  0.372783D+00 -0.856413D-01  0.102726D+01  0.268239D+01
      2   0.997779D+01  0.488661D-01  0.114489D+01 -0.127246D+01 -0.139854D+01
      3  -0.153628D+02 -0.421649D+00 -0.105924D+01  0.245203D+00 -0.128385D+01
      4  -0.417030D+02 -0.375928D+01  0.345272D+01 -0.276533D+01 -0.476841D+01
      5  -0.471434D+01 -0.894522D+01  0.108220D+02 -0.426806D+01 -0.347560D+01
      6   0.832326D+01  0.424203D+01 -0.221164D+01  0.596611D+01  0.193650D+01
               181           182           183           184           185 
      1  -0.838714D+02 -0.147300D+02  0.307475D+02 -0.899261D+01  0.222151D+02
      2   0.451550D+02  0.138048D+02 -0.463874D+01  0.370432D+01 -0.157098D+02
      3   0.387163D+02  0.925224D+00 -0.261088D+02  0.528828D+01 -0.650530D+01
      4  -0.165236D+02  0.135002D+02  0.591249D+01  0.186934D+02 -0.171483D+02
      5   0.409822D+02  0.768226D+01  0.127947D+02 -0.882353D+00 -0.436675D+01
      6   0.400739D+01 -0.822061D+01 -0.358157D+00 -0.907087D+01  0.105099D+02
               186           187           188           189           190 
      1   0.173356D+02  0.110656D+02  0.124298D+02  0.230856D+02 -0.185611D+02
      2   0.859655D+01  0.700617D+01  0.427551D+01 -0.435667D+00  0.210709D+02
      3  -0.259321D+02 -0.180718D+02 -0.167053D+02 -0.226500D+02 -0.250982D+01
      4   0.172348D+01 -0.541769D+01  0.143032D+01  0.259776D+02  0.149116D+02
      5   0.308308D+02  0.281622D+02  0.198159D+02 -0.442329D+01 -0.332398D+02
      6   0.237442D+01  0.663792D+01  0.200235D+01 -0.173741D+02  0.460390D+01
               191           192           193           194           195 
      1   0.563662D+01 -0.123782D+02  0.268683D+02  0.408694D+01  0.155887D+02
      2  -0.332413D+01  0.180842D+02 -0.314092D+02 -0.111482D+02 -0.199338D+02
      3  -0.231249D+01 -0.570604D+01  0.454081D+01  0.706129D+01  0.434514D+01
      4  -0.249609D+01  0.772754D+01  0.484510D+01 -0.607679D+01  0.426273D+01
      5   0.810742D+01 -0.164030D+02  0.302984D+02  0.188325D+01  0.457639D+02
      6  -0.639079D+01  0.569366D+01  0.400190D+01  0.215887D+01  0.131980D+01
               196           197           198           199           200 
      1  -0.331927D+02  0.120173D+02 -0.733762D+01  0.195310D+03  0.226311D+02
      2   0.256825D+02 -0.109150D+02  0.184890D+02 -0.104181D+03 -0.128381D+02
      3   0.751018D+01 -0.110234D+01 -0.111514D+02 -0.911285D+02 -0.979302D+01
      4   0.210701D+02 -0.246404D+02  0.253719D+02  0.220941D+02  0.166882D+02
      5  -0.161308D+02  0.234991D+02 -0.218236D+02 -0.207808D+02 -0.256505D+01
      6   0.107165D+02 -0.707962D+01  0.115713D+02 -0.221566D+00 -0.693993D+00
               201           202           203           204           205 
      1  -0.163423D+02  0.659939D+02  0.202929D+02 -0.600806D+01 -0.207921D+02
      2   0.993556D+01 -0.356189D+02 -0.102527D+02  0.378625D+01  0.126868D+02
      3   0.640677D+01 -0.303750D+02 -0.100401D+02  0.222181D+01  0.810529D+01
      4  -0.221988D+01  0.252262D+02  0.167702D+02 -0.362074D+01 -0.273176D+01
      5   0.198553D+02 -0.717817D+01 -0.375848D+01  0.558812D+01  0.250523D+02
      6  -0.590271D+00 -0.113011D+01 -0.628146D+00  0.179984D+01 -0.153947D+00
               206           207           208           209           210 
      1  -0.321390D+01  0.165784D+02  0.281439D+00 -0.378505D+01 -0.114603D+02
      2   0.208486D+01 -0.100580D+02 -0.407565D+00  0.198538D+01  0.475532D+01
      3   0.112905D+01 -0.652038D+01  0.126127D+00  0.179966D+01  0.670503D+01
      4  -0.344311D+01 -0.141182D+01 -0.359350D+00 -0.186050D+01  0.103384D+01
      5  -0.160791D+01 -0.575579D+01 -0.866522D+01  0.283225D+00 -0.324872D+01
      6   0.288039D+01 -0.467313D-01  0.190531D+01  0.120217D+01  0.233657D+01
               211           212           213           214           215 
      1  -0.186023D+02  0.248822D+01  0.563311D+00 -0.317643D+02  0.131288D+01
      2   0.802550D+01  0.508659D+01  0.973642D+00  0.177498D+02  0.115481D+00
      3   0.105768D+02 -0.757481D+01 -0.153695D+01  0.140145D+02 -0.142836D+01
      4   0.300376D+02 -0.425974D+02 -0.286019D+02  0.212260D+02 -0.301998D+02
      5   0.183171D+02 -0.288710D+02 -0.371160D+02  0.340589D+02 -0.351820D+02
      6  -0.832123D+01  0.139042D+02  0.145930D+02 -0.112531D+02  0.149681D+02
               216           217           218           219           220 
      1   0.223009D+01  0.150546D+02 -0.422856D+01  0.124916D+02 -0.185291D+02
      2  -0.749460D+01 -0.767195D+01  0.159761D+01 -0.559874D+01  0.745895D+01
      3   0.526451D+01 -0.738261D+01  0.263096D+01 -0.689284D+01  0.110701D+02
      4  -0.331467D+02 -0.449841D+01  0.250760D+01 -0.693461D+01  0.277566D+02
      5  -0.471397D+02  0.147885D+02 -0.643744D+01  0.424307D+01 -0.195698D+02
      6   0.157678D+02 -0.334639D+01  0.125626D+01  0.274066D+00  0.537481D+01
               221           222           223           224           225 
      1   0.885472D+01 -0.906097D+01  0.491336D+02 -0.125164D+02  0.136316D+02
      2   0.233497D+00  0.199613D+01 -0.269579D+02  0.442222D+01 -0.117495D+02
      3  -0.908821D+01  0.706483D+01 -0.221757D+02  0.809417D+01 -0.188204D+01
      4  -0.294802D+02  0.196365D+02 -0.277495D+02  0.266045D+02 -0.303961D+02
      5   0.208179D+02 -0.318418D+02  0.436419D+02 -0.334095D+02  0.616535D+02
      6  -0.675876D+01  0.105370D+02 -0.110584D+02  0.112936D+02 -0.132196D+02
               226           227           228           229           230 
      1  -0.686641D+00 -0.340332D+01 -0.188433D+02 -0.657121D+01 -0.104519D+02
      2  -0.291158D+01 -0.681119D+00 -0.160858D+01  0.474383D+01  0.937292D+00
      3   0.359822D+01  0.408444D+01  0.204518D+02  0.182739D+01  0.951465D+01
      4  -0.188618D+01 -0.392165D+01 -0.283970D+01 -0.153789D+01 -0.732916D+01
      5  -0.441327D+01 -0.645957D+00 -0.829961D+01  0.623174D+01 -0.759102D+01
      6   0.143070D+01  0.362148D+01  0.158858D+01  0.584012D+00  0.654110D+01
               231           232           233           234           235 
      1  -0.137781D+02 -0.116588D+02 -0.848960D+01 -0.355559D+02  0.431644D+00
      2  -0.746859D+01  0.540393D+01 -0.383578D+01 -0.194865D+02  0.213450D+01
      3   0.212467D+02  0.625484D+01  0.123254D+02  0.550425D+02 -0.256615D+01
      4  -0.104189D+02 -0.134957D+01 -0.907110D+01 -0.124192D+02  0.331807D+01
      5  -0.232594D+02  0.853615D+01 -0.910211D+01 -0.451645D+02  0.749495D+00
      6   0.945143D+01  0.743869D+00  0.868016D+01  0.750724D+01 -0.213699D+01
               236           237           238           239           240 
      1   0.991271D+01 -0.603772D+01  0.135169D+02 -0.203115D+02  0.441875D+01
      2  -0.766640D+01 -0.317260D+00 -0.831231D+01  0.219119D+02 -0.137192D+00
      3  -0.224631D+01  0.635498D+01 -0.520463D+01 -0.160038D+01 -0.428156D+01
      4  -0.640064D+01  0.148323D+01  0.432127D+01  0.331499D+02 -0.766352D+01
      5  -0.867459D+00 -0.524426D+01 -0.942127D+01 -0.360518D+01  0.101423D+02
      6   0.594146D+01 -0.280592D+01  0.113365D+00 -0.218051D+02  0.911002D+01
               241           242           243           244           245 
      1   0.548621D+00  0.207350D+01 -0.737231D+01  0.117337D+03  0.106043D+02
      2  -0.172157D+01 -0.843755D+00  0.241324D+01 -0.685451D+02 -0.522842D+01
      3   0.117295D+01 -0.122975D+01  0.495907D+01 -0.487924D+02 -0.537592D+01
      4   0.132724D+01 -0.151179D+01  0.137361D+01  0.256549D+02  0.155852D+02
      5  -0.211089D+01  0.137944D+01  0.974155D+00 -0.678002D+02 -0.808431D+01
      6  -0.887525D+00  0.501988D+01 -0.961411D+00 -0.643943D+01 -0.552178D+01
               246           247           248           249           250 
      1  -0.232287D+02  0.790691D+01  0.745296D+01 -0.260326D+01 -0.742703D+01
      2   0.203665D+02 -0.366828D+01 -0.282409D+01  0.331111D+00  0.896757D+01
      3   0.286218D+01 -0.423863D+01 -0.462886D+01  0.227215D+01 -0.154054D+01
      4  -0.691201D+01  0.161520D+02  0.668123D+01 -0.474393D+01 -0.172932D+01
      5   0.326814D+02 -0.483855D+01 -0.624742D+01  0.261754D+00  0.202322D+02
      6   0.398417D+01 -0.499942D+01 -0.290479D+01  0.317701D+01  0.254028D+01
               251           252           253           254           255 
      1  -0.155819D+01  0.801650D+01  0.732896D+02 -0.229105D+02  0.325545D+02
      2   0.211200D+00 -0.948699D+01 -0.479137D+02  0.126528D+02 -0.247347D+02
      3   0.134700D+01  0.147049D+01 -0.253759D+02  0.102577D+02 -0.781981D+01
      4  -0.196630D+01  0.487511D+00 -0.267249D+02  0.222533D+02 -0.731175D+01
      5   0.112786D+01 -0.120352D+02  0.559172D+02 -0.115598D+02  0.391922D+02
      6   0.186947D+01 -0.355129D+00 -0.760751D+01  0.763528D+01 -0.401031D+01
               256           257           258           259           260 
      1  -0.383750D+02  0.111944D+02 -0.851618D+01  0.427402D+02 -0.587171D+01
      2   0.282467D+02 -0.571958D+01  0.154717D+02 -0.393013D+02  0.101453D+02
      3   0.101283D+02 -0.547477D+01 -0.695548D+01 -0.343891D+01 -0.427362D+01
      4   0.243150D+02 -0.355246D+02  0.202778D+02 -0.154036D+02  0.299598D+02
      5  -0.312084D+02  0.206067D+02 -0.358039D+02  0.651602D+02 -0.242760D+02
      6   0.934247D+01 -0.143111D+02  0.130440D+02 -0.524486D+01  0.169993D+02
               261           262           263           264           265 
      1   0.130657D+02 -0.269546D+01  0.131478D+02  0.142421D+01  0.996636D+01
      2  -0.401652D+02  0.517903D+01 -0.609957D+01 -0.253961D+00  0.338864D+00
      3   0.270995D+02 -0.248357D+01 -0.704823D+01 -0.117025D+01 -0.103052D+02
      4  -0.234133D+02  0.182893D+01 -0.128925D+01 -0.117975D+02  0.122445D+02
      5   0.733762D+02 -0.882306D+01 -0.763909D+01 -0.998873D+01 -0.121666D+02
      6  -0.126073D+02 -0.240730D+01 -0.596961D+01 -0.869634D+01 -0.591145D+01
               266           267           268           269           270 
      1  -0.113112D+02 -0.631141D+01 -0.822877D+01 -0.655388D+01 -0.776507D+01
      2   0.307390D+02  0.589777D+01  0.426341D+01  0.220999D+01  0.668313D+01
      3  -0.194278D+02  0.413633D+00  0.396536D+01  0.434389D+01  0.108194D+01
      4   0.317718D+02 -0.130455D+02 -0.239937D+02 -0.237104D+02 -0.186914D+02
      5  -0.128355D+02 -0.143704D+02 -0.202543D+02 -0.170265D+02 -0.373599D+02
      6   0.376042D+01 -0.101423D+01 -0.135512D+02 -0.690786D+01 -0.173533D+02
               271           272           273           274           275 
      1   0.964769D+01  0.711773D+01  0.753248D+01  0.448177D+01 -0.278559D+01
      2  -0.465681D+01 -0.307479D+01 -0.473022D+01  0.177874D+00  0.632044D+01
      3  -0.499088D+01 -0.404294D+01 -0.280226D+01 -0.465965D+01 -0.353485D+01
      4   0.177281D+02  0.159506D+02  0.131840D+02  0.141712D+02  0.233344D+02
      5   0.154622D+02  0.117931D+02  0.164909D+02  0.927342D+01  0.122833D+02
      6   0.876455D+01  0.670690D+01  0.755693D+01  0.660368D+01  0.119257D+02
               276           277           278           279 
      1  -0.135957D+01  0.790970D+01 -0.197652D+01 -0.236998D+01
      2   0.238168D+01 -0.686650D+01  0.222612D+00 -0.672552D+01
      3  -0.102211D+01 -0.104319D+01  0.175391D+01  0.909550D+01
      4   0.133275D+02  0.236022D+02  0.306924D+02  0.306124D+02
      5   0.142213D+02  0.284803D+02  0.277510D+02  0.435537D+02
      6   0.103430D+02  0.147661D+02  0.200074D+02  0.246618D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.785317D+00      0.199608D+01      0.665820D+01
   y         -0.909047D+00     -0.231057D+01     -0.770722D+01
   z          0.460015D+00      0.116924D+01      0.390017D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.270360D+03      0.400631D+02      0.445763D+02
   yx        -0.156600D+02     -0.232057D+01     -0.258198D+01
   yy         0.167803D+03      0.248658D+02      0.276669D+02
   zx        -0.741308D+01     -0.109851D+01     -0.122225D+01
   zy        -0.446929D+01     -0.662280D+00     -0.736886D+00
   zz         0.113059D+03      0.167537D+02      0.186410D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.206533D+03      0.306050D+02      0.340526D+02
   aniso      0.163699D+03      0.242576D+02      0.269903D+02
   xx         0.306513D+03      0.454205D+02      0.505371D+02
   yx        -0.200905D+02     -0.297710D+01     -0.331248D+01
   yy         0.187212D+03      0.277419D+02      0.308671D+02
   zx        -0.821837D+01     -0.121784D+01     -0.135503D+01
   zy        -0.486515D+01     -0.720941D+00     -0.802156D+00
   zz         0.125874D+03      0.186526D+02      0.207538D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.75335576          1.98501129          3.69511908
     6          3.07281354          0.36052557          4.99247124
     6          4.23262703          2.71515831          1.25347388
     6          2.03700288          1.86505548          0.01517188
     6          0.33123038          0.22805073          1.31453043
     6          0.92371581         -0.48457216          3.81547876
     6          1.44118965          2.56875924         -2.49775421
     6         -0.71048013          1.70551346         -3.64224433
     6         -2.41986490          0.09442741         -2.36014214
     6         -1.87475247         -0.62281730          0.07274424
     6         -4.78465625         -0.80857364         -3.72124387
     8          6.92114707          2.90218532          4.73587398
     6          7.54762394          2.20076193          7.24295826
     1          3.46617440         -0.22304493          6.90735264
     1          5.54144705          3.95678366          0.29000863
     1         -0.35667870         -1.72777059          4.81811904
     1          2.72076872          3.80502658         -3.50908439
     1         -1.12765291          2.25557151         -5.56883230
     1         -3.13045948         -1.88293688          1.08285368
     1         -4.89233576          0.19394207         -5.51621761
     6         -7.21859209         -0.33599156         -2.22564878
     6         -4.45852275         -3.56168229         -4.46035206
     1          9.32653135          3.13960482          7.66225343
     1          7.79904654          0.15657394          7.41879616
     1          6.11147011          2.83171837          8.58919149
     1         -7.41593426          1.68082531         -1.85505838
     1         -7.20189090         -1.32842694         -0.42475833
     1         -8.86788853         -0.97029143         -3.28856086
     8         -3.82441436         -4.29400289         -6.51688590
     8         -4.92369910         -5.16892291         -2.52216892
     1         -4.59302439         -6.85939875         -3.14800340

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.128635D+01      0.326958D+01      0.109061D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.128635D+01      0.326958D+01      0.109061D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.183740D+03      0.272275D+02      0.302947D+02
   aniso      0.141738D+03      0.210033D+02      0.233694D+02
   xx         0.202455D+03      0.300008D+02      0.333804D+02
   yx         0.368575D+02      0.546172D+01      0.607698D+01
   yy         0.137206D+03      0.203318D+02      0.226222D+02
   zx         0.607678D+02      0.900485D+01      0.100193D+02
   zy         0.716465D+00      0.106169D+00      0.118129D+00
   zz         0.211560D+03      0.313500D+02      0.348815D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.206533D+03      0.306050D+02      0.340526D+02
   aniso      0.163699D+03      0.242576D+02      0.269903D+02
   xx         0.227043D+03      0.336443D+02      0.374343D+02
   yx         0.408908D+02      0.605940D+01      0.674199D+01
   yy         0.152517D+03      0.226007D+02      0.251467D+02
   zx         0.709107D+02      0.105079D+02      0.116916D+02
   zy         0.125273D+01      0.185635D+00      0.206547D+00
   zz         0.240038D+03      0.355699D+02      0.395769D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-F15-04\Freq\RLC-PBEPBE\Gen\C14H14O3\PIERPA\07-Oct-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02300000
 00,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
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 0000062,-0.00000007,0.00000009,-0.00000017,0.00000003,-0.00000006,-0.0
 0000002,-0.00000072,0.00000029,-0.00000007,-0.00000039,0.00000052,-0.0
 0000067,-0.00000051,0.,-0.00000082,0.00000020,0.00000030,0.00000051\\\
 @


 AND HERE I AM, FOR ALL MY LORE,
 THE WRETCHED FOOL I WAS BEFORE.
 CALLED MASTER OF ARTS, AND DOCTOR TO BOOT,
 FOR TEN YEARS ALMOST I CONFUTE
 AND UP AND DOWN, WHEREVER IT GOES
 I DRAG MY STUDENTS BY THE NOSE --
 AND SEE THAT FOR ALL OUR SCIENCE AND ART
 WE CAN KNOW NOTHING.  IT BURNS MY HEART.

                                       -- FAUST
 Job cpu time:       1 days  7 hours 52 minutes 56.5 seconds.
 Elapsed time:       0 days  3 hours 59 minutes 13.0 seconds.
 File lengths (MBytes):  RWF=    752 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Oct  7 18:52:44 2021.
